N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridine-2-carboxamide

C18H21N3O — CID 94536296

IUPACN-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridine-2-carboxamide
SMILESC[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccccn2)C1
InChIInChI=1S/C18H21N3O/c1-14(15-7-3-2-4-8-15)21-12-10-16(13-21)20-18(22)17-9-5-6-11-19-17/h2-9,11,14,16H,10,12-13H2,1H3,(H,20,22)/t14-,16-/m0/s1
InChIKeySKEQQMGQGOCORZ-HOCLYGCPSA-N
MW295.39 g/mol
LogP2.65
Rot. Bonds4

About N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridine-2-carboxamide

N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridine-2-carboxamide (PubChem CID 94536296) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridine-2-carboxamide
PubChem CID94536296
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridine-2-carboxamide
SMILESC[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccccn2)C1
InChIInChI=1S/C18H21N3O/c1-14(15-7-3-2-4-8-15)21-12-10-16(13-21)20-18(22)17-9-5-6-11-19-17/h2-9,11,14,16H,10,12-13H2,1H3,(H,20,22)/t14-,16-/m0/s1
InChIKeySKEQQMGQGOCORZ-HOCLYGCPSA-N
XLogP2.65
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide
CID 59568965
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98726634
6-oxo-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-1H-pyridine-3-carboxamide
CID 94536258
1-oxido-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]pyridin-1-ium-2-carboxamide
CID 95094293
3-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]furan-2-carboxamide
CID 51091908
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
5-cyclopropyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 119041845
3,5-dimethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide
CID 60569671

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridine-2-carboxamide (CID 94536296) is N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridine-2-carboxamide is C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccccn2)C1.
What is the InChIKey of N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridine-2-carboxamide?
The InChIKey is SKEQQMGQGOCORZ-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H21N3O/c1-14(15-7-3-2-4-8-15)21-12-10-16(13-21)20-18(22)17-9-5-6-11-19-17/h2-9,11,14,16H,10,12-13H2,1H3,(H,20,22)/t14-,16-/m0/s1.
What are the key properties of N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridine-2-carboxamide?
N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridine-2-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 94536296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).