N-(2-aminocyclohexyl)-3-[(4-tert-butylphenyl)methyl]-5-(2,2-dimethylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide

C29H43N5O2 — CID 23880144

IUPACN-(2-aminocyclohexyl)-3-[(4-tert-butylphenyl)methyl]-5-(2,2-dimethylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCC(C)(C)C(=O)N1Cc2c(ncn2Cc2ccc(C(C)(C)C)cc2)CC1C(=O)NC1CCCCC1N
InChIInChI=1S/C29H43N5O2/c1-28(2,3)20-13-11-19(12-14-20)16-33-18-31-23-15-24(26(35)32-22-10-8-7-9-21(22)30)34(17-25(23)33)27(36)29(4,5)6/h11-14,18,21-22,24H,7-10,15-17,30H2,1-6H3,(H,32,35)
InChIKeyLLMAGYPGXHNNHW-UHFFFAOYSA-N
MW493.70 g/mol
LogP3.91
Rot. Bonds4

About N-(2-aminocyclohexyl)-3-[(4-tert-butylphenyl)methyl]-5-(2,2-dimethylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide

N-(2-aminocyclohexyl)-3-[(4-tert-butylphenyl)methyl]-5-(2,2-dimethylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 23880144) has the molecular formula C29H43N5O2 and a molecular weight of 493.70 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-3-[(4-tert-butylphenyl)methyl]-5-(2,2-dimethylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-3-[(4-tert-butylphenyl)methyl]-5-(2,2-dimethylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID23880144
Molecular FormulaC29H43N5O2
Molecular Weight493.70 g/mol
Exact Mass493.34
IUPAC NameN-(2-aminocyclohexyl)-3-[(4-tert-butylphenyl)methyl]-5-(2,2-dimethylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCC(C)(C)C(=O)N1Cc2c(ncn2Cc2ccc(C(C)(C)C)cc2)CC1C(=O)NC1CCCCC1N
InChIInChI=1S/C29H43N5O2/c1-28(2,3)20-13-11-19(12-14-20)16-33-18-31-23-15-24(26(35)32-22-10-8-7-9-21(22)30)34(17-25(23)33)27(36)29(4,5)6/h11-14,18,21-22,24H,7-10,15-17,30H2,1-6H3,(H,32,35)
InChIKeyLLMAGYPGXHNNHW-UHFFFAOYSA-N
XLogP3.91
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.70
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-aminocyclohexyl)-3-[(4-tert-butylphenyl)methyl]-5-(2,2-dimethylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-3-[(4-tert-butylphenyl)methyl]-5-(2,2-dimethylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-(2-aminocyclohexyl)-3-[(4-tert-butylphenyl)methyl]-5-(2,2-dimethylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide (CID 23880144) is N-(2-aminocyclohexyl)-3-[(4-tert-butylphenyl)methyl]-5-(2,2-dimethylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-3-[(4-tert-butylphenyl)methyl]-5-(2,2-dimethylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-(2-aminocyclohexyl)-3-[(4-tert-butylphenyl)methyl]-5-(2,2-dimethylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide is CC(C)(C)C(=O)N1Cc2c(ncn2Cc2ccc(C(C)(C)C)cc2)CC1C(=O)NC1CCCCC1N.
What is the InChIKey of N-(2-aminocyclohexyl)-3-[(4-tert-butylphenyl)methyl]-5-(2,2-dimethylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is LLMAGYPGXHNNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43N5O2/c1-28(2,3)20-13-11-19(12-14-20)16-33-18-31-23-15-24(26(35)32-22-10-8-7-9-21(22)30)34(17-25(23)33)27(36)29(4,5)6/h11-14,18,21-22,24H,7-10,15-17,30H2,1-6H3,(H,32,35).
What are the key properties of N-(2-aminocyclohexyl)-3-[(4-tert-butylphenyl)methyl]-5-(2,2-dimethylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide?
N-(2-aminocyclohexyl)-3-[(4-tert-butylphenyl)methyl]-5-(2,2-dimethylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 493.70 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-3-[(4-tert-butylphenyl)methyl]-5-(2,2-dimethylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 23880144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).