N-(2-cyclohexylethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide

C25H31N3O2 — CID 134801025

IUPACN-(2-cyclohexylethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCC1CCCCC1)C1CCCN1C(=O)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C25H31N3O2/c29-24(27-15-13-19-7-2-1-3-8-19)23-12-6-16-28(23)25(30)21-10-4-9-20(17-21)22-11-5-14-26-18-22/h4-5,9-11,14,17-19,23H,1-3,6-8,12-13,15-16H2,(H,27,29)
InChIKeyRCQVHKCXAHWKTC-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.44
Rot. Bonds6

About N-(2-cyclohexylethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide

N-(2-cyclohexylethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide (PubChem CID 134801025) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide
PubChem CID134801025
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC NameN-(2-cyclohexylethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCC1CCCCC1)C1CCCN1C(=O)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C25H31N3O2/c29-24(27-15-13-19-7-2-1-3-8-19)23-12-6-16-28(23)25(30)21-10-4-9-20(17-21)22-11-5-14-26-18-22/h4-5,9-11,14,17-19,23H,1-3,6-8,12-13,15-16H2,(H,27,29)
InChIKeyRCQVHKCXAHWKTC-UHFFFAOYSA-N
XLogP4.44
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.44
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-[(3-chlorophenyl)methyl]-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide
CID 134803976
morpholin-4-yl-[1-(3-pyridin-3-ylbenzoyl)pyrrolidin-2-yl]methanone
CID 134801928
1-(3-pyridin-2-ylbenzoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 134798830
N-[2-(4-chlorophenyl)ethyl]-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide
CID 134797544
N-cyclopentyl-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide
CID 134799641
N-[6-[(2S)-2-(2-oxopropylcarbamoyl)pyrrolidine-1-carbonyl]naphthalen-2-yl]pyridine-3-carboxamide
CID 59684199
N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]acetamide
CID 127245085
3-pyridin-3-ylbenzoic acid
CID 2795575
(2S)-1-(3,4-dichlorobenzoyl)-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 51937768
N-cyclopropyl-1-[3-(3-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide
CID 134800399
(2S)-N-(2-benzamidoethyl)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 51066683

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-cyclohexylethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide (CID 134801025) is N-(2-cyclohexylethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-cyclohexylethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide is O=C(NCCC1CCCCC1)C1CCCN1C(=O)c1cccc(-c2cccnc2)c1.
What is the InChIKey of N-(2-cyclohexylethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is RCQVHKCXAHWKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c29-24(27-15-13-19-7-2-1-3-8-19)23-12-6-16-28(23)25(30)21-10-4-9-20(17-21)22-11-5-14-26-18-22/h4-5,9-11,14,17-19,23H,1-3,6-8,12-13,15-16H2,(H,27,29).
What are the key properties of N-(2-cyclohexylethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide?
N-(2-cyclohexylethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 405.54 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 134801025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).