N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide

C17H23N3O2 — CID 125160120

IUPACN-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide
SMILESCc1cnccc1C(=O)NC[C@@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C17H23N3O2/c1-12-9-18-7-6-15(12)17(22)19-10-13-8-16(21)20(11-13)14-4-2-3-5-14/h6-7,9,13-14H,2-5,8,10-11H2,1H3,(H,19,22)/t13-/m0/s1
InChIKeyXUBZGKSAFSAZPU-ZDUSSCGKSA-N
MW301.39 g/mol
LogP1.91
Rot. Bonds4

About N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide

N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide (PubChem CID 125160120) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide
PubChem CID125160120
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide
SMILESCc1cnccc1C(=O)NC[C@@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C17H23N3O2/c1-12-9-18-7-6-15(12)17(22)19-10-13-8-16(21)20(11-13)14-4-2-3-5-14/h6-7,9,13-14H,2-5,8,10-11H2,1H3,(H,19,22)/t13-/m0/s1
InChIKeyXUBZGKSAFSAZPU-ZDUSSCGKSA-N
XLogP1.91
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(4-methyl-3-pyridinyl)methyl]urea
CID 138010415
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-2-fluoro-4-methylbenzamide
CID 125174216
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-methoxy-2-methylbenzamide
CID 125167592
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
CID 131906921
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenoxybenzamide
CID 91772754
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(2,3-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 172880485
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 131930862
N-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-2-propylpyrazole-3-carboxamide
CID 125169973
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide
CID 95550589
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110743227
N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyridine-7-carboxamide
CID 95712406
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 110719865

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide?
The IUPAC name of N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide (CID 125160120) is N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide?
The canonical SMILES for N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide is Cc1cnccc1C(=O)NC[C@@H]1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide?
The InChIKey is XUBZGKSAFSAZPU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12-9-18-7-6-15(12)17(22)19-10-13-8-16(21)20(11-13)14-4-2-3-5-14/h6-7,9,13-14H,2-5,8,10-11H2,1H3,(H,19,22)/t13-/m0/s1.
What are the key properties of N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide?
N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide is sourced from PubChem (CID 125160120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).