N-methyl-N-phenyl-2-pyrrolidin-1-ylpyridine-3-carboxamide

C17H19N3O — CID 36676473

IUPACN-methyl-N-phenyl-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCN(C(=O)c1cccnc1N1CCCC1)c1ccccc1
InChIInChI=1S/C17H19N3O/c1-19(14-8-3-2-4-9-14)17(21)15-10-7-11-18-16(15)20-12-5-6-13-20/h2-4,7-11H,5-6,12-13H2,1H3
InChIKeyJDUIBDLFHAIOGP-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.96
Rot. Bonds3

About N-methyl-N-phenyl-2-pyrrolidin-1-ylpyridine-3-carboxamide

N-methyl-N-phenyl-2-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 36676473) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-methyl-N-phenyl-2-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-2-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID36676473
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-methyl-N-phenyl-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCN(C(=O)c1cccnc1N1CCCC1)c1ccccc1
InChIInChI=1S/C17H19N3O/c1-19(14-8-3-2-4-9-14)17(21)15-10-7-11-18-16(15)20-12-5-6-13-20/h2-4,7-11H,5-6,12-13H2,1H3
InChIKeyJDUIBDLFHAIOGP-UHFFFAOYSA-N
XLogP2.96
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-phenyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 84571145
N-methyl-2-(4-methylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide
CID 84576816
2-[methyl-(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]acetic acid
CID 119346290
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
3-[methyl-(2-piperidin-1-ylpyridine-3-carbonyl)amino]propanoic acid
CID 119362402
2-(azepan-1-yl)-N,N-diethylpyridine-3-carboxamide
CID 84577154
2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 84576935
N,N-dimethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 3040781
phenyl-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone
CID 78806153
N-methyl-N-phenyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111797
(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 8934171
N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 47231439

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-methyl-N-phenyl-2-pyrrolidin-1-ylpyridine-3-carboxamide (CID 36676473) is N-methyl-N-phenyl-2-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-methyl-N-phenyl-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-methyl-N-phenyl-2-pyrrolidin-1-ylpyridine-3-carboxamide is CN(C(=O)c1cccnc1N1CCCC1)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is JDUIBDLFHAIOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-19(14-8-3-2-4-9-14)17(21)15-10-7-11-18-16(15)20-12-5-6-13-20/h2-4,7-11H,5-6,12-13H2,1H3.
What are the key properties of N-methyl-N-phenyl-2-pyrrolidin-1-ylpyridine-3-carboxamide?
N-methyl-N-phenyl-2-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-2-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 36676473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).