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

C18H21N3O — CID 94536313

IUPACN-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESC[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cccnc2)C1
InChIInChI=1S/C18H21N3O/c1-14(15-6-3-2-4-7-15)21-11-9-17(13-21)20-18(22)16-8-5-10-19-12-16/h2-8,10,12,14,17H,9,11,13H2,1H3,(H,20,22)/t14-,17+/m1/s1
InChIKeyMICYARTYKFLPHK-PBHICJAKSA-N
MW295.39 g/mol
LogP2.65
Rot. Bonds4

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

N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 94536313) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]pyridine-3-carboxamide
PubChem CID94536313
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESC[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cccnc2)C1
InChIInChI=1S/C18H21N3O/c1-14(15-6-3-2-4-7-15)21-11-9-17(13-21)20-18(22)16-8-5-10-19-12-16/h2-8,10,12,14,17H,9,11,13H2,1H3,(H,20,22)/t14-,17+/m1/s1
InChIKeyMICYARTYKFLPHK-PBHICJAKSA-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-[(1R)-1-phenylethyl]pyrrolidin-3-yl]pyridine-3-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

N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridine-2-carboxamide
CID 94536296
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
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
N-[1-(1-phenylethyl)pyrrolidin-3-yl]-3-pyrazin-2-ylprop-2-enamide
CID 91942589
1-(1-phenylethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine
CID 56827336
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98726634
4-[3-(pyridine-3-carbonylamino)pyrrolidin-1-yl]benzoic acid
CID 66622606
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

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]pyridine-3-carboxamide (CID 94536313) is N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]pyridine-3-carboxamide is C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cccnc2)C1.
What is the InChIKey of N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
The InChIKey is MICYARTYKFLPHK-PBHICJAKSA-N. The full InChI is InChI=1S/C18H21N3O/c1-14(15-6-3-2-4-7-15)21-11-9-17(13-21)20-18(22)16-8-5-10-19-12-16/h2-8,10,12,14,17H,9,11,13H2,1H3,(H,20,22)/t14-,17+/m1/s1.
What are the key properties of N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]pyridine-3-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-[(1R)-1-phenylethyl]pyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 94536313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).