N-(4-tert-butylphenyl)-3-methyl-5-(pyridin-4-ylmethylamino)imidazole-4-carboxamide

C21H25N5O — CID 6425419

IUPACN-(4-tert-butylphenyl)-3-methyl-5-(pyridin-4-ylmethylamino)imidazole-4-carboxamide
SMILESCn1cnc(NCc2ccncc2)c1C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H25N5O/c1-21(2,3)16-5-7-17(8-6-16)25-20(27)18-19(24-14-26(18)4)23-13-15-9-11-22-12-10-15/h5-12,14,23H,13H2,1-4H3,(H,25,27)
InChIKeyGRWWMWQTKFKHLE-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.98
Rot. Bonds5

About N-(4-tert-butylphenyl)-3-methyl-5-(pyridin-4-ylmethylamino)imidazole-4-carboxamide

N-(4-tert-butylphenyl)-3-methyl-5-(pyridin-4-ylmethylamino)imidazole-4-carboxamide (PubChem CID 6425419) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-3-methyl-5-(pyridin-4-ylmethylamino)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-3-methyl-5-(pyridin-4-ylmethylamino)imidazole-4-carboxamide
PubChem CID6425419
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-(4-tert-butylphenyl)-3-methyl-5-(pyridin-4-ylmethylamino)imidazole-4-carboxamide
SMILESCn1cnc(NCc2ccncc2)c1C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H25N5O/c1-21(2,3)16-5-7-17(8-6-16)25-20(27)18-19(24-14-26(18)4)23-13-15-9-11-22-12-10-15/h5-12,14,23H,13H2,1-4H3,(H,25,27)
InChIKeyGRWWMWQTKFKHLE-UHFFFAOYSA-N
XLogP3.98
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-tert-butylphenyl)-3-methyl-5-(pyridin-4-ylmethylamino)imidazole-4-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-(4-tert-butylphenyl)-3-methyl-5-(pyridin-4-ylmethylamino)imidazole-4-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-3-methyl-5-(pyridin-4-ylmethylamino)imidazole-4-carboxamide (CID 6425419) is N-(4-tert-butylphenyl)-3-methyl-5-(pyridin-4-ylmethylamino)imidazole-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-3-methyl-5-(pyridin-4-ylmethylamino)imidazole-4-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-3-methyl-5-(pyridin-4-ylmethylamino)imidazole-4-carboxamide is Cn1cnc(NCc2ccncc2)c1C(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-3-methyl-5-(pyridin-4-ylmethylamino)imidazole-4-carboxamide?
The InChIKey is GRWWMWQTKFKHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-21(2,3)16-5-7-17(8-6-16)25-20(27)18-19(24-14-26(18)4)23-13-15-9-11-22-12-10-15/h5-12,14,23H,13H2,1-4H3,(H,25,27).
What are the key properties of N-(4-tert-butylphenyl)-3-methyl-5-(pyridin-4-ylmethylamino)imidazole-4-carboxamide?
N-(4-tert-butylphenyl)-3-methyl-5-(pyridin-4-ylmethylamino)imidazole-4-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-3-methyl-5-(pyridin-4-ylmethylamino)imidazole-4-carboxamide is sourced from PubChem (CID 6425419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).