2-methyl-N-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide

C17H19N3O — CID 166198478

IUPAC2-methyl-N-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
SMILESCc1ncccc1C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C17H19N3O/c1-13-16(8-5-9-18-13)17(21)19-14-6-4-7-15(12-14)20-10-2-3-11-20/h4-9,12H,2-3,10-11H2,1H3,(H,19,21)
InChIKeyMTNSEJBTWNQKFH-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.24
Rot. Bonds3

About 2-methyl-N-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide

2-methyl-N-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide (PubChem CID 166198478) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-methyl-N-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
PubChem CID166198478
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-methyl-N-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
SMILESCc1ncccc1C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C17H19N3O/c1-13-16(8-5-9-18-13)17(21)19-14-6-4-7-15(12-14)20-10-2-3-11-20/h4-9,12H,2-3,10-11H2,1H3,(H,19,21)
InChIKeyMTNSEJBTWNQKFH-UHFFFAOYSA-N
XLogP3.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-methyl-3-pyridinyl)-N-(3-piperidin-1-ylphenyl)oxamide
CID 99585219
N-(3-acetamidophenyl)-2-methylpyridine-3-carboxamide
CID 110861306
2-bromo-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 28987913
2-methyl-N-(3-piperidin-1-ylphenyl)quinoline-3-carboxamide
CID 86832456
N-(3-acetylphenyl)-2-methylpyridine-3-carboxamide
CID 78950839
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 56508446
3-chloro-N-(3-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 66462445
7-fluoro-2,3-dimethyl-N-(3-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide
CID 55877092
2-methyl-N-(3-sulfamoylphenyl)pyridine-3-carboxamide
CID 78950909
2-chloro-N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 110362862
5-acetamido-2-(methanesulfonamido)-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 56579334
N-[3-(ethylaminomethyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119438454

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide (CID 166198478) is 2-methyl-N-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide is Cc1ncccc1C(=O)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of 2-methyl-N-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide?
The InChIKey is MTNSEJBTWNQKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13-16(8-5-9-18-13)17(21)19-14-6-4-7-15(12-14)20-10-2-3-11-20/h4-9,12H,2-3,10-11H2,1H3,(H,19,21).
What are the key properties of 2-methyl-N-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide?
2-methyl-N-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 166198478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).