2-[[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-N-[(4-cyanophenyl)methyl]-N-methylpyridine-4-carboxamide

C29H30N6O2 — CID 135163416

IUPAC2-[[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-N-[(4-cyanophenyl)methyl]-N-methylpyridine-4-carboxamide
SMILESCC(C)CC1(c2ccccc2)N=C(N)N(Cc2cc(C(=O)N(C)Cc3ccc(C#N)cc3)ccn2)C1=O
InChIInChI=1S/C29H30N6O2/c1-20(2)16-29(24-7-5-4-6-8-24)27(37)35(28(31)33-29)19-25-15-23(13-14-32-25)26(36)34(3)18-22-11-9-21(17-30)10-12-22/h4-15,20H,16,18-19H2,1-3H3,(H2,31,33)
InChIKeyWRLPOUIZWRXFPB-UHFFFAOYSA-N
MW494.60 g/mol
LogP3.82
Rot. Bonds8

About 2-[[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-N-[(4-cyanophenyl)methyl]-N-methylpyridine-4-carboxamide

2-[[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-N-[(4-cyanophenyl)methyl]-N-methylpyridine-4-carboxamide (PubChem CID 135163416) has the molecular formula C29H30N6O2 and a molecular weight of 494.60 g/mol. Its IUPAC name is 2-[[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-N-[(4-cyanophenyl)methyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-N-[(4-cyanophenyl)methyl]-N-methylpyridine-4-carboxamide
PubChem CID135163416
Molecular FormulaC29H30N6O2
Molecular Weight494.60 g/mol
Exact Mass494.24
IUPAC Name2-[[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-N-[(4-cyanophenyl)methyl]-N-methylpyridine-4-carboxamide
SMILESCC(C)CC1(c2ccccc2)N=C(N)N(Cc2cc(C(=O)N(C)Cc3ccc(C#N)cc3)ccn2)C1=O
InChIInChI=1S/C29H30N6O2/c1-20(2)16-29(24-7-5-4-6-8-24)27(37)35(28(31)33-29)19-25-15-23(13-14-32-25)26(36)34(3)18-22-11-9-21(17-30)10-12-22/h4-15,20H,16,18-19H2,1-3H3,(H2,31,33)
InChIKeyWRLPOUIZWRXFPB-UHFFFAOYSA-N
XLogP3.82
TPSA115.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-N-[(4-cyanophenyl)methyl]-N-methylpyridine-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 2-[[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-N-[(4-cyanophenyl)methyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-[[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-N-[(4-cyanophenyl)methyl]-N-methylpyridine-4-carboxamide (CID 135163416) is 2-[[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-N-[(4-cyanophenyl)methyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-[[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-N-[(4-cyanophenyl)methyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-[[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-N-[(4-cyanophenyl)methyl]-N-methylpyridine-4-carboxamide is CC(C)CC1(c2ccccc2)N=C(N)N(Cc2cc(C(=O)N(C)Cc3ccc(C#N)cc3)ccn2)C1=O.
What is the InChIKey of 2-[[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-N-[(4-cyanophenyl)methyl]-N-methylpyridine-4-carboxamide?
The InChIKey is WRLPOUIZWRXFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O2/c1-20(2)16-29(24-7-5-4-6-8-24)27(37)35(28(31)33-29)19-25-15-23(13-14-32-25)26(36)34(3)18-22-11-9-21(17-30)10-12-22/h4-15,20H,16,18-19H2,1-3H3,(H2,31,33).
What are the key properties of 2-[[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-N-[(4-cyanophenyl)methyl]-N-methylpyridine-4-carboxamide?
2-[[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-N-[(4-cyanophenyl)methyl]-N-methylpyridine-4-carboxamide has a molecular weight of 494.60 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-N-[(4-cyanophenyl)methyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 135163416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).