5-cyclobutyl-2-methyl-N-[4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide

C26H32N4O2 — CID 123680725

IUPAC5-cyclobutyl-2-methyl-N-[4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide
SMILESCc1ncc(C2CCC2)cc1C(=O)NC1CCC(Cn2c(=O)n(C)c3ccccc32)CC1
InChIInChI=1S/C26H32N4O2/c1-17-22(14-20(15-27-17)19-6-5-7-19)25(31)28-21-12-10-18(11-13-21)16-30-24-9-4-3-8-23(24)29(2)26(30)32/h3-4,8-9,14-15,18-19,21H,5-7,10-13,16H2,1-2H3,(H,28,31)
InChIKeyYDBKRQNHXHOFJL-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.30
Rot. Bonds5

About 5-cyclobutyl-2-methyl-N-[4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide

5-cyclobutyl-2-methyl-N-[4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide (PubChem CID 123680725) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 5-cyclobutyl-2-methyl-N-[4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyclobutyl-2-methyl-N-[4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide
PubChem CID123680725
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name5-cyclobutyl-2-methyl-N-[4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide
SMILESCc1ncc(C2CCC2)cc1C(=O)NC1CCC(Cn2c(=O)n(C)c3ccccc32)CC1
InChIInChI=1S/C26H32N4O2/c1-17-22(14-20(15-27-17)19-6-5-7-19)25(31)28-21-12-10-18(11-13-21)16-30-24-9-4-3-8-23(24)29(2)26(30)32/h3-4,8-9,14-15,18-19,21H,5-7,10-13,16H2,1-2H3,(H,28,31)
InChIKeyYDBKRQNHXHOFJL-UHFFFAOYSA-N
XLogP4.30
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-2-methyl-N-[4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 5-cyclobutyl-2-methyl-N-[4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide (CID 123680725) is 5-cyclobutyl-2-methyl-N-[4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-cyclobutyl-2-methyl-N-[4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 5-cyclobutyl-2-methyl-N-[4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide is Cc1ncc(C2CCC2)cc1C(=O)NC1CCC(Cn2c(=O)n(C)c3ccccc32)CC1.
What is the InChIKey of 5-cyclobutyl-2-methyl-N-[4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide?
The InChIKey is YDBKRQNHXHOFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-17-22(14-20(15-27-17)19-6-5-7-19)25(31)28-21-12-10-18(11-13-21)16-30-24-9-4-3-8-23(24)29(2)26(30)32/h3-4,8-9,14-15,18-19,21H,5-7,10-13,16H2,1-2H3,(H,28,31).
What are the key properties of 5-cyclobutyl-2-methyl-N-[4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide?
5-cyclobutyl-2-methyl-N-[4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 432.57 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-2-methyl-N-[4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 123680725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).