N-[(3-chlorophenyl)methyl]-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide

C24H22ClN3O2 — CID 134803976

IUPACN-[(3-chlorophenyl)methyl]-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1CCCN1C(=O)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C24H22ClN3O2/c25-21-9-1-5-17(13-21)15-27-23(29)22-10-4-12-28(22)24(30)19-7-2-6-18(14-19)20-8-3-11-26-16-20/h1-3,5-9,11,13-14,16,22H,4,10,12,15H2,(H,27,29)
InChIKeyRTOZTNSJWFRTLG-UHFFFAOYSA-N
MW419.91 g/mol
LogP4.32
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide

N-[(3-chlorophenyl)methyl]-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide (PubChem CID 134803976) has the molecular formula C24H22ClN3O2 and a molecular weight of 419.91 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide
PubChem CID134803976
Molecular FormulaC24H22ClN3O2
Molecular Weight419.91 g/mol
Exact Mass419.14
IUPAC NameN-[(3-chlorophenyl)methyl]-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1CCCN1C(=O)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C24H22ClN3O2/c25-21-9-1-5-17(13-21)15-27-23(29)22-10-4-12-28(22)24(30)19-7-2-6-18(14-19)20-8-3-11-26-16-20/h1-3,5-9,11,13-14,16,22H,4,10,12,15H2,(H,27,29)
InChIKeyRTOZTNSJWFRTLG-UHFFFAOYSA-N
XLogP4.32
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.91
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide
CID 134803506
N-(2-cyclohexylethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide
CID 134801025
morpholin-4-yl-[1-(3-pyridin-3-ylbenzoyl)pyrrolidin-2-yl]methanone
CID 134801928
N-[2-(4-chlorophenyl)ethyl]-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide
CID 134797544
(2S)-N-[(3-chlorophenyl)methyl]-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide
CID 45141361
1-(3-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 46757142
(2S)-1-[(2R)-1-benzoylpiperidine-2-carbonyl]-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 50985907
(2S)-1-N-phenyl-2-N-(pyridin-3-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 95347813
(2S)-1-(3,4-dichlorobenzoyl)-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 51937768
tert-butyl N-[[4-chloro-2-[[[(2S)-1-[1-(hydroxymethyl)-4-pyridin-3-ylpyrrole-2-carbonyl]pyrrolidine-2-carbonyl]amino]methyl]phenyl]methyl]carbamate
CID 118491012
1-(3-pyridin-2-ylbenzoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 134798830
1-(3,5-dichlorobenzoyl)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 55637087

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide (CID 134803976) is N-[(3-chlorophenyl)methyl]-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide is O=C(NCc1cccc(Cl)c1)C1CCCN1C(=O)c1cccc(-c2cccnc2)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is RTOZTNSJWFRTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O2/c25-21-9-1-5-17(13-21)15-27-23(29)22-10-4-12-28(22)24(30)19-7-2-6-18(14-19)20-8-3-11-26-16-20/h1-3,5-9,11,13-14,16,22H,4,10,12,15H2,(H,27,29).
What are the key properties of N-[(3-chlorophenyl)methyl]-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide?
N-[(3-chlorophenyl)methyl]-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 419.91 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 134803976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).