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72612-10-3 | N-(3-(5-METHOXY-3-INDOLYL)PROPYL)ISONICOTINAMIDE
CAS No: 72612-10-3 Catalog No: AG0063J4 MDL No:
Product Description
Catalog Number:
AG0063J4
Chemical Name:
N-(3-(5-METHOXY-3-INDOLYL)PROPYL)ISONICOTINAMIDE
CAS Number:
72612-10-3
Molecular Formula:
C18H19N3O2
Molecular Weight:
309.3624
IUPAC Name:
N-[3-(5-methoxy-1H-indol-3-yl)propyl]pyridine-4-carboxamide
InChI:
InChI=1S/C18H19N3O2/c1-23-15-4-5-17-16(11-15)14(12-21-17)3-2-8-20-18(22)13-6-9-19-10-7-13/h4-7,9-12,21H,2-3,8H2,1H3,(H,20,22)
InChI Key:
LOBHEUKBDZAKFC-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(CCCNC(=O)c1ccncc1)c[nH]2
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.148g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
309.369g/mol
Monoisotopic Mass:
309.148g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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