N-(5-acetyl-3-pyridinyl)-4-methylpyrrolidine-2-carboxamide

C13H17N3O2 — CID 123436068

IUPACN-(5-acetyl-3-pyridinyl)-4-methylpyrrolidine-2-carboxamide
SMILESCC(=O)c1cncc(NC(=O)C2CC(C)CN2)c1
InChIInChI=1S/C13H17N3O2/c1-8-3-12(15-5-8)13(18)16-11-4-10(9(2)17)6-14-7-11/h4,6-8,12,15H,3,5H2,1-2H3,(H,16,18)
InChIKeyQCLYFFRCQYJUFW-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.22
Rot. Bonds3

About N-(5-acetyl-3-pyridinyl)-4-methylpyrrolidine-2-carboxamide

N-(5-acetyl-3-pyridinyl)-4-methylpyrrolidine-2-carboxamide (PubChem CID 123436068) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(5-acetyl-3-pyridinyl)-4-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-3-pyridinyl)-4-methylpyrrolidine-2-carboxamide
PubChem CID123436068
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-(5-acetyl-3-pyridinyl)-4-methylpyrrolidine-2-carboxamide
SMILESCC(=O)c1cncc(NC(=O)C2CC(C)CN2)c1
InChIInChI=1S/C13H17N3O2/c1-8-3-12(15-5-8)13(18)16-11-4-10(9(2)17)6-14-7-11/h4,6-8,12,15H,3,5H2,1-2H3,(H,16,18)
InChIKeyQCLYFFRCQYJUFW-UHFFFAOYSA-N
XLogP1.22
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2S,4S)-4-methylpyrrolidine-2-carbonyl]amino]benzoic acid
CID 126757719
(2R,4S)-N-(4-cyclopropylphenyl)-4-methylpyrrolidine-2-carboxamide
CID 175615486
5-[(4-ethylpiperidine-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 114428994
4-methyl-N-[4-(2-methylbut-2-enyl)phenyl]pyrrolidine-2-carboxamide
CID 123693203
5-[[(2R)-piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid
CID 104913917
(2S)-N-(5-methyl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119884720
N-(5-methyl-3-pyridinyl)piperidine-2-carboxamide
CID 103814497
4-methyl-N-(6-methyl-3-pyridinyl)piperidine-2-carboxamide
CID 114424331
5-(2,3-dihydro-1H-indole-3-carbonylamino)pyridine-3-carboxylic acid
CID 80563548
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
4-methyl-N-quinoxalin-6-ylpiperidine-2-carboxamide
CID 114423238
4-methyl-N-[4-(methylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 114422983

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-3-pyridinyl)-4-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(5-acetyl-3-pyridinyl)-4-methylpyrrolidine-2-carboxamide (CID 123436068) is N-(5-acetyl-3-pyridinyl)-4-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(5-acetyl-3-pyridinyl)-4-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(5-acetyl-3-pyridinyl)-4-methylpyrrolidine-2-carboxamide is CC(=O)c1cncc(NC(=O)C2CC(C)CN2)c1.
What is the InChIKey of N-(5-acetyl-3-pyridinyl)-4-methylpyrrolidine-2-carboxamide?
The InChIKey is QCLYFFRCQYJUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8-3-12(15-5-8)13(18)16-11-4-10(9(2)17)6-14-7-11/h4,6-8,12,15H,3,5H2,1-2H3,(H,16,18).
What are the key properties of N-(5-acetyl-3-pyridinyl)-4-methylpyrrolidine-2-carboxamide?
N-(5-acetyl-3-pyridinyl)-4-methylpyrrolidine-2-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-3-pyridinyl)-4-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 123436068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).