(3R)-N-[(R)-cyclopentyl(pyridin-2-yl)methyl]-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide

C20H27N3O2 — CID 97218411

IUPAC(3R)-N-[(R)-cyclopentyl(pyridin-2-yl)methyl]-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(N[C@@H](c1ccccn1)C1CCCC1)[C@@H]1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C20H27N3O2/c24-18-11-16(13-23(18)12-14-8-9-14)20(25)22-19(15-5-1-2-6-15)17-7-3-4-10-21-17/h3-4,7,10,14-16,19H,1-2,5-6,8-9,11-13H2,(H,22,25)/t16-,19-/m1/s1
InChIKeyFYOPOAKOMICMON-VQIMIIECSA-N
MW341.45 g/mol
LogP2.69
Rot. Bonds6

About (3R)-N-[(R)-cyclopentyl(pyridin-2-yl)methyl]-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[(R)-cyclopentyl(pyridin-2-yl)methyl]-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 97218411) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is (3R)-N-[(R)-cyclopentyl(pyridin-2-yl)methyl]-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(R)-cyclopentyl(pyridin-2-yl)methyl]-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID97218411
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name(3R)-N-[(R)-cyclopentyl(pyridin-2-yl)methyl]-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(N[C@@H](c1ccccn1)C1CCCC1)[C@@H]1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C20H27N3O2/c24-18-11-16(13-23(18)12-14-8-9-14)20(25)22-19(15-5-1-2-6-15)17-7-3-4-10-21-17/h3-4,7,10,14-16,19H,1-2,5-6,8-9,11-13H2,(H,22,25)/t16-,19-/m1/s1
InChIKeyFYOPOAKOMICMON-VQIMIIECSA-N
XLogP2.69
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(cyclopropylmethyl)-N-methyl-5-oxo-N-[(1R)-1-pyridin-2-ylethyl]pyrrolidine-3-carboxamide
CID 95231445
(2R)-2-[[(3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 97185645
N-[[1-(cyclohexylmethyl)piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 110226619
(2S,3S)-3-[[(3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid
CID 100901057
N-[(R)-cyclohexyl(pyridin-2-yl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 137423496
N-[(S)-[(3S)-1-[[(3S)-oxolan-3-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide
CID 92577175
1-(cyclopropylmethyl)-N-[2-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 61497970
(3R)-1-(cyclopropylmethyl)-5-oxo-N-(5-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 97016454
2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 71915617
N-[(S)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclopentanecarboxamide
CID 95795377
N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2,2-dimethylpropanamide
CID 98135966
(2S)-2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 61143393

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(R)-cyclopentyl(pyridin-2-yl)methyl]-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(R)-cyclopentyl(pyridin-2-yl)methyl]-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 97218411) is (3R)-N-[(R)-cyclopentyl(pyridin-2-yl)methyl]-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(R)-cyclopentyl(pyridin-2-yl)methyl]-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(R)-cyclopentyl(pyridin-2-yl)methyl]-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide is O=C(N[C@@H](c1ccccn1)C1CCCC1)[C@@H]1CC(=O)N(CC2CC2)C1.
What is the InChIKey of (3R)-N-[(R)-cyclopentyl(pyridin-2-yl)methyl]-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FYOPOAKOMICMON-VQIMIIECSA-N. The full InChI is InChI=1S/C20H27N3O2/c24-18-11-16(13-23(18)12-14-8-9-14)20(25)22-19(15-5-1-2-6-15)17-7-3-4-10-21-17/h3-4,7,10,14-16,19H,1-2,5-6,8-9,11-13H2,(H,22,25)/t16-,19-/m1/s1.
What are the key properties of (3R)-N-[(R)-cyclopentyl(pyridin-2-yl)methyl]-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[(R)-cyclopentyl(pyridin-2-yl)methyl]-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(R)-cyclopentyl(pyridin-2-yl)methyl]-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97218411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).