6-oxo-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-1H-pyridine-3-carboxamide

C18H21N3O2 — CID 94536258

IUPAC6-oxo-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-1H-pyridine-3-carboxamide
SMILESC[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C18H21N3O2/c1-13(14-5-3-2-4-6-14)21-10-9-16(12-21)20-18(23)15-7-8-17(22)19-11-15/h2-8,11,13,16H,9-10,12H2,1H3,(H,19,22)(H,20,23)/t13-,16-/m0/s1
InChIKeyXFEVZUCYLKSXKN-BBRMVZONSA-N
MW311.39 g/mol
LogP1.94
Rot. Bonds4

About 6-oxo-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-1H-pyridine-3-carboxamide

6-oxo-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-1H-pyridine-3-carboxamide (PubChem CID 94536258) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 6-oxo-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-1H-pyridine-3-carboxamide
PubChem CID94536258
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name6-oxo-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-1H-pyridine-3-carboxamide
SMILESC[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C18H21N3O2/c1-13(14-5-3-2-4-6-14)21-10-9-16(12-21)20-18(23)15-7-8-17(22)19-11-15/h2-8,11,13,16H,9-10,12H2,1H3,(H,19,22)(H,20,23)/t13-,16-/m0/s1
InChIKeyXFEVZUCYLKSXKN-BBRMVZONSA-N
XLogP1.94
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-oxo-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 94197653
2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide
CID 47070507
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 94536313
N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridine-2-carboxamide
CID 94536296
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98726634
3-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]furan-2-carboxamide
CID 51091908
1-oxido-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]pyridin-1-ium-2-carboxamide
CID 95094293
1-methyl-6-oxo-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-4,5-dihydropyridazine-3-carboxamide
CID 95094303
N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide
CID 75834351
3,5-dimethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide
CID 60569671
1-cyclopropyl-3-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]thiourea
CID 98760713
3-acetamido-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 100840976

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-1H-pyridine-3-carboxamide (CID 94536258) is 6-oxo-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-1H-pyridine-3-carboxamide is C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(=O)[nH]c2)C1.
What is the InChIKey of 6-oxo-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-1H-pyridine-3-carboxamide?
The InChIKey is XFEVZUCYLKSXKN-BBRMVZONSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13(14-5-3-2-4-6-14)21-10-9-16(12-21)20-18(23)15-7-8-17(22)19-11-15/h2-8,11,13,16H,9-10,12H2,1H3,(H,19,22)(H,20,23)/t13-,16-/m0/s1.
What are the key properties of 6-oxo-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-1H-pyridine-3-carboxamide?
6-oxo-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-1H-pyridine-3-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 94536258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).