N-[6-(benzimidazol-1-yl)-3-pyridinyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide

C24H27N5O2 — CID 55761391

IUPACN-[6-(benzimidazol-1-yl)-3-pyridinyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(-n2cnc3ccccc32)nc1)C1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C24H27N5O2/c30-23(21-11-6-14-28(21)24(31)17-7-2-1-3-8-17)27-18-12-13-22(25-15-18)29-16-26-19-9-4-5-10-20(19)29/h4-5,9-10,12-13,15-17,21H,1-3,6-8,11,14H2,(H,27,30)
InChIKeyJVJJBFHDOICKAM-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.93
Rot. Bonds4

About N-[6-(benzimidazol-1-yl)-3-pyridinyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide

N-[6-(benzimidazol-1-yl)-3-pyridinyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide (PubChem CID 55761391) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[6-(benzimidazol-1-yl)-3-pyridinyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(benzimidazol-1-yl)-3-pyridinyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
PubChem CID55761391
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC NameN-[6-(benzimidazol-1-yl)-3-pyridinyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(-n2cnc3ccccc32)nc1)C1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C24H27N5O2/c30-23(21-11-6-14-28(21)24(31)17-7-2-1-3-8-17)27-18-12-13-22(25-15-18)29-16-26-19-9-4-5-10-20(19)29/h4-5,9-10,12-13,15-17,21H,1-3,6-8,11,14H2,(H,27,30)
InChIKeyJVJJBFHDOICKAM-UHFFFAOYSA-N
XLogP3.93
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2S)-2-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]pyrrolidine-1-carboxylate
CID 55938947
1-(cyclohexanecarbonyl)-N-(6-pyrazol-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 55762135
tert-butyl (2R)-1-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]pyrrolidine-2-carboxylate
CID 96528754
(2S)-1-(cyclohexanecarbonyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide
CID 51951158
N-(4-anilinophenyl)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxamide
CID 166197699
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119850811
N-[4-(benzimidazol-1-yl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 60554757
tert-butyl 4-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 56532103
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 51935910
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 134004736
N-(3-bromophenyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
CID 55741021
N-[4-(benzimidazol-1-yl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 46642187

Frequently Asked Questions

What is the IUPAC name of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide (CID 55761391) is N-[6-(benzimidazol-1-yl)-3-pyridinyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(-n2cnc3ccccc32)nc1)C1CCCN1C(=O)C1CCCCC1.
What is the InChIKey of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide?
The InChIKey is JVJJBFHDOICKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c30-23(21-11-6-14-28(21)24(31)17-7-2-1-3-8-17)27-18-12-13-22(25-15-18)29-16-26-19-9-4-5-10-20(19)29/h4-5,9-10,12-13,15-17,21H,1-3,6-8,11,14H2,(H,27,30).
What are the key properties of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide?
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55761391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).