N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4H-imidazole-2-carboxamide

C21H19N5O2 — CID 163459698

IUPACN-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4H-imidazole-2-carboxamide
SMILESCc1cc2c(cn1)cc(-c1cc(NC(=O)C3=NCC=N3)ccc1C)c(=O)n2C
InChIInChI=1S/C21H19N5O2/c1-12-4-5-15(25-20(27)19-22-6-7-23-19)10-16(12)17-9-14-11-24-13(2)8-18(14)26(3)21(17)28/h4-6,8-11H,7H2,1-3H3,(H,25,27)
InChIKeyBNNKFWNFIRKIOK-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.64
Rot. Bonds3

About N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4H-imidazole-2-carboxamide

N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4H-imidazole-2-carboxamide (PubChem CID 163459698) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4H-imidazole-2-carboxamide
PubChem CID163459698
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC NameN-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4H-imidazole-2-carboxamide
SMILESCc1cc2c(cn1)cc(-c1cc(NC(=O)C3=NCC=N3)ccc1C)c(=O)n2C
InChIInChI=1S/C21H19N5O2/c1-12-4-5-15(25-20(27)19-22-6-7-23-19)10-16(12)17-9-14-11-24-13(2)8-18(14)26(3)21(17)28/h4-6,8-11H,7H2,1-3H3,(H,25,27)
InChIKeyBNNKFWNFIRKIOK-UHFFFAOYSA-N
XLogP2.64
TPSA88.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4H-imidazole-2-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-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4H-imidazole-2-carboxamide?
The IUPAC name of N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4H-imidazole-2-carboxamide (CID 163459698) is N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4H-imidazole-2-carboxamide.
What is the SMILES notation for N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4H-imidazole-2-carboxamide?
The canonical SMILES for N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4H-imidazole-2-carboxamide is Cc1cc2c(cn1)cc(-c1cc(NC(=O)C3=NCC=N3)ccc1C)c(=O)n2C.
What is the InChIKey of N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4H-imidazole-2-carboxamide?
The InChIKey is BNNKFWNFIRKIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-12-4-5-15(25-20(27)19-22-6-7-23-19)10-16(12)17-9-14-11-24-13(2)8-18(14)26(3)21(17)28/h4-6,8-11H,7H2,1-3H3,(H,25,27).
What are the key properties of N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4H-imidazole-2-carboxamide?
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4H-imidazole-2-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4H-imidazole-2-carboxamide is sourced from PubChem (CID 163459698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).