1-butanoyl-N-cyclopropyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide

C24H29N3O2 — CID 110229548

IUPAC1-butanoyl-N-cyclopropyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCCCC(=O)N1CCC(Cc2cccc(-c3cccnc3)c2)(C(=O)NC2CC2)C1
InChIInChI=1S/C24H29N3O2/c1-2-5-22(28)27-13-11-24(17-27,23(29)26-21-9-10-21)15-18-6-3-7-19(14-18)20-8-4-12-25-16-20/h3-4,6-8,12,14,16,21H,2,5,9-11,13,15,17H2,1H3,(H,26,29)
InChIKeyVZVYLQXHDNHFCG-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.59
Rot. Bonds7

About 1-butanoyl-N-cyclopropyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide

1-butanoyl-N-cyclopropyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 110229548) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-butanoyl-N-cyclopropyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-cyclopropyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID110229548
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name1-butanoyl-N-cyclopropyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCCCC(=O)N1CCC(Cc2cccc(-c3cccnc3)c2)(C(=O)NC2CC2)C1
InChIInChI=1S/C24H29N3O2/c1-2-5-22(28)27-13-11-24(17-27,23(29)26-21-9-10-21)15-18-6-3-7-19(14-18)20-8-4-12-25-16-20/h3-4,6-8,12,14,16,21H,2,5,9-11,13,15,17H2,1H3,(H,26,29)
InChIKeyVZVYLQXHDNHFCG-UHFFFAOYSA-N
XLogP3.59
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-1-(3,3-dimethylbutanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231447
(3S)-N-cyclopropyl-1-(3,3-dimethylbutanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92552127
(3S)-N-ethyl-1-[2-(3-methylphenyl)acetyl]-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592305
(3R)-N-ethyl-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592232
N-cyclopropyl-1-(2-methoxyacetyl)-3-[[3-(4-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 110229733
1-butanoyl-N,N-dimethyl-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110229625
(3R)-1-butanoyl-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92586394
1-(cyclopentanecarbonyl)-N-ethyl-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232207
N-cyclopropyl-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide
CID 110243986
(2R)-N-cyclopropyl-4-(3-methylbutanoyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92578984
N-methyl-1-(3-methylbutanoyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083907
N-ethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 110229783

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-cyclopropyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-butanoyl-N-cyclopropyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide (CID 110229548) is 1-butanoyl-N-cyclopropyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-butanoyl-N-cyclopropyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-butanoyl-N-cyclopropyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide is CCCC(=O)N1CCC(Cc2cccc(-c3cccnc3)c2)(C(=O)NC2CC2)C1.
What is the InChIKey of 1-butanoyl-N-cyclopropyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is VZVYLQXHDNHFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-2-5-22(28)27-13-11-24(17-27,23(29)26-21-9-10-21)15-18-6-3-7-19(14-18)20-8-4-12-25-16-20/h3-4,6-8,12,14,16,21H,2,5,9-11,13,15,17H2,1H3,(H,26,29).
What are the key properties of 1-butanoyl-N-cyclopropyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?
1-butanoyl-N-cyclopropyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-cyclopropyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110229548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).