(3S)-5-oxo-N-[(1-phenylcyclopropyl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

C21H23N3O2 — CID 38825464

IUPAC(3S)-5-oxo-N-[(1-phenylcyclopropyl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC1(c2ccccc2)CC1)[C@H]1CC(=O)N(Cc2ccccn2)C1
InChIInChI=1S/C21H23N3O2/c25-19-12-16(13-24(19)14-18-8-4-5-11-22-18)20(26)23-15-21(9-10-21)17-6-2-1-3-7-17/h1-8,11,16H,9-10,12-15H2,(H,23,26)/t16-/m0/s1
InChIKeyBWXTVRUBICWTEI-INIZCTEOSA-N
MW349.43 g/mol
LogP2.28
Rot. Bonds6

About (3S)-5-oxo-N-[(1-phenylcyclopropyl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

(3S)-5-oxo-N-[(1-phenylcyclopropyl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 38825464) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (3S)-5-oxo-N-[(1-phenylcyclopropyl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-5-oxo-N-[(1-phenylcyclopropyl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID38825464
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(3S)-5-oxo-N-[(1-phenylcyclopropyl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC1(c2ccccc2)CC1)[C@H]1CC(=O)N(Cc2ccccn2)C1
InChIInChI=1S/C21H23N3O2/c25-19-12-16(13-24(19)14-18-8-4-5-11-22-18)20(26)23-15-21(9-10-21)17-6-2-1-3-7-17/h1-8,11,16H,9-10,12-15H2,(H,23,26)/t16-/m0/s1
InChIKeyBWXTVRUBICWTEI-INIZCTEOSA-N
XLogP2.28
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-benzyl-5-oxo-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 124617392
(3R)-5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 94125432
4-[[[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 119136589
(2R)-2-benzyl-3-[[(3S)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 125153798
(3S)-N-(furan-2-ylmethyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 94021658
N-[1-(3-bromophenyl)cyclobutyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 71888395
(3S)-1-(2-methylpropyl)-5-oxo-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide
CID 51936826
(3S)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97139662
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55683678
N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 72914762
1-(2-ethylphenyl)-5-oxo-N-[(1-phenylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 134037352
(3R)-N-(5-methyl-2-pyridinyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 38418060

Frequently Asked Questions

What is the IUPAC name of (3S)-5-oxo-N-[(1-phenylcyclopropyl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-5-oxo-N-[(1-phenylcyclopropyl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (CID 38825464) is (3S)-5-oxo-N-[(1-phenylcyclopropyl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-5-oxo-N-[(1-phenylcyclopropyl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-5-oxo-N-[(1-phenylcyclopropyl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is O=C(NCC1(c2ccccc2)CC1)[C@H]1CC(=O)N(Cc2ccccn2)C1.
What is the InChIKey of (3S)-5-oxo-N-[(1-phenylcyclopropyl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is BWXTVRUBICWTEI-INIZCTEOSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-19-12-16(13-24(19)14-18-8-4-5-11-22-18)20(26)23-15-21(9-10-21)17-6-2-1-3-7-17/h1-8,11,16H,9-10,12-15H2,(H,23,26)/t16-/m0/s1.
What are the key properties of (3S)-5-oxo-N-[(1-phenylcyclopropyl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
(3S)-5-oxo-N-[(1-phenylcyclopropyl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-oxo-N-[(1-phenylcyclopropyl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 38825464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).