N-(3-acetylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide

C18H19N3O2 — CID 109203933

IUPACN-(3-acetylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(N3CCCC3)ccn2)c1
InChIInChI=1S/C18H19N3O2/c1-13(22)14-5-4-6-15(11-14)20-18(23)17-12-16(7-8-19-17)21-9-2-3-10-21/h4-8,11-12H,2-3,9-10H2,1H3,(H,20,23)
InChIKeySNNWUFAXAJCZRC-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.14
Rot. Bonds4

About N-(3-acetylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide

N-(3-acetylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide (PubChem CID 109203933) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
PubChem CID109203933
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-(3-acetylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(N3CCCC3)ccn2)c1
InChIInChI=1S/C18H19N3O2/c1-13(22)14-5-4-6-15(11-14)20-18(23)17-12-16(7-8-19-17)21-9-2-3-10-21/h4-8,11-12H,2-3,9-10H2,1H3,(H,20,23)
InChIKeySNNWUFAXAJCZRC-UHFFFAOYSA-N
XLogP3.14
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 109206676
N-(3-iodophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 112773692
N-(3-methoxyphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203921
N-(4-acetamidophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203936
N-(3-acetylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 91628628
4-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-2-carboxamide
CID 109209220
N-(3-acetamidophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208668
N-(3-acetylphenyl)-2-(azepane-1-carbonyl)pyridine-4-carboxamide
CID 109090775
N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203985
N-(3-acetylphenyl)-4-(cyclopentylamino)pyridine-2-carboxamide
CID 109204307
4-(azepan-1-yl)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109218660
2-N-(3-acetylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090859

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide (CID 109203933) is N-(3-acetylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide is CC(=O)c1cccc(NC(=O)c2cc(N3CCCC3)ccn2)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The InChIKey is SNNWUFAXAJCZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-13(22)14-5-4-6-15(11-14)20-18(23)17-12-16(7-8-19-17)21-9-2-3-10-21/h4-8,11-12H,2-3,9-10H2,1H3,(H,20,23).
What are the key properties of N-(3-acetylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide?
N-(3-acetylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 109203933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).