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17750-23-1 | 3-Pyridinecarboxamide, 1,4-dihydro-1-methyl-
CAS No: 17750-23-1 Catalog No: AG0025DN MDL No:
Product Description
Catalog Number:
AG0025DN
Chemical Name:
3-Pyridinecarboxamide, 1,4-dihydro-1-methyl-
CAS Number:
17750-23-1
Molecular Formula:
C7H10N2O
Molecular Weight:
138.1671
IUPAC Name:
1-methyl-4H-pyridine-3-carboxamide
InChI:
InChI=1S/C7H10N2O/c1-9-4-2-3-6(5-9)7(8)10/h2,4-5H,3H2,1H3,(H2,8,10)
InChI Key:
HOERLBZJYLYWEY-UHFFFAOYSA-N
SMILES:
CN1C=C(CC=C1)C(=O)N
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
138.17g/mol
Monoisotopic Mass:
138.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| Engineering cytochrome P450 enzymes for improved activity towards biomimetic 1,4-NADH cofactors. | Chembiochem : a European journal of chemical biology 20081103 |
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