N-[(4-aminocyclohexyl)methyl]-1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazole-4-carboxamide

C25H31N5O2 — CID 138707816

IUPACN-[(4-aminocyclohexyl)methyl]-1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazole-4-carboxamide
SMILESCc1cc(-c2nc(C(=O)NCC3CCC(N)CC3)cn2Cc2ccccc2)cn(C)c1=O
InChIInChI=1S/C25H31N5O2/c1-17-12-20(15-29(2)25(17)32)23-28-22(16-30(23)14-19-6-4-3-5-7-19)24(31)27-13-18-8-10-21(26)11-9-18/h3-7,12,15-16,18,21H,8-11,13-14,26H2,1-2H3,(H,27,31)
InChIKeyQZFPIVDOACXANO-UHFFFAOYSA-N
MW433.56 g/mol
LogP2.85
Rot. Bonds6

About N-[(4-aminocyclohexyl)methyl]-1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazole-4-carboxamide

N-[(4-aminocyclohexyl)methyl]-1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazole-4-carboxamide (PubChem CID 138707816) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazole-4-carboxamide
PubChem CID138707816
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC NameN-[(4-aminocyclohexyl)methyl]-1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazole-4-carboxamide
SMILESCc1cc(-c2nc(C(=O)NCC3CCC(N)CC3)cn2Cc2ccccc2)cn(C)c1=O
InChIInChI=1S/C25H31N5O2/c1-17-12-20(15-29(2)25(17)32)23-28-22(16-30(23)14-19-6-4-3-5-7-19)24(31)27-13-18-8-10-21(26)11-9-18/h3-7,12,15-16,18,21H,8-11,13-14,26H2,1-2H3,(H,27,31)
InChIKeyQZFPIVDOACXANO-UHFFFAOYSA-N
XLogP2.85
TPSA94.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazole-4-carboxamide?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazole-4-carboxamide (CID 138707816) is N-[(4-aminocyclohexyl)methyl]-1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazole-4-carboxamide.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazole-4-carboxamide?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazole-4-carboxamide is Cc1cc(-c2nc(C(=O)NCC3CCC(N)CC3)cn2Cc2ccccc2)cn(C)c1=O.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazole-4-carboxamide?
The InChIKey is QZFPIVDOACXANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-17-12-20(15-29(2)25(17)32)23-28-22(16-30(23)14-19-6-4-3-5-7-19)24(31)27-13-18-8-10-21(26)11-9-18/h3-7,12,15-16,18,21H,8-11,13-14,26H2,1-2H3,(H,27,31).
What are the key properties of N-[(4-aminocyclohexyl)methyl]-1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazole-4-carboxamide?
N-[(4-aminocyclohexyl)methyl]-1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazole-4-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazole-4-carboxamide is sourced from PubChem (CID 138707816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).