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

C23H22FN5O2 — CID 59212546

IUPACN-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-(2-fluoroethyl)imidazole-2-carboxamide
SMILESCc1cc2c(cn1)cc(-c1cc(NC(=O)c3nccn3CCF)ccc1C)c(=O)n2C
InChIInChI=1S/C23H22FN5O2/c1-14-4-5-17(27-22(30)21-25-7-9-29(21)8-6-24)12-18(14)19-11-16-13-26-15(2)10-20(16)28(3)23(19)31/h4-5,7,9-13H,6,8H2,1-3H3,(H,27,30)
InChIKeySOPFWPLQIVHYPD-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.64
Rot. Bonds5

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

N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-(2-fluoroethyl)imidazole-2-carboxamide (PubChem CID 59212546) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-(2-fluoroethyl)imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-(2-fluoroethyl)imidazole-2-carboxamide
PubChem CID59212546
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC NameN-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-(2-fluoroethyl)imidazole-2-carboxamide
SMILESCc1cc2c(cn1)cc(-c1cc(NC(=O)c3nccn3CCF)ccc1C)c(=O)n2C
InChIInChI=1S/C23H22FN5O2/c1-14-4-5-17(27-22(30)21-25-7-9-29(21)8-6-24)12-18(14)19-11-16-13-26-15(2)10-20(16)28(3)23(19)31/h4-5,7,9-13H,6,8H2,1-3H3,(H,27,30)
InChIKeySOPFWPLQIVHYPD-UHFFFAOYSA-N
XLogP3.64
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-(2-fluoroethyl)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

Related Compounds

N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]pyridine-2-carboxamide
CID 59212447
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3,4,5-tetramethylpyrrole-2-carboxamide
CID 24954166
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,4-dimethylbenzamide
CID 59212337
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3-oxazole-4-carboxamide
CID 24951699
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-methylthiophene-2-carboxamide
CID 59212300
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]thiophene-2-carboxamide
CID 59212373
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide
CID 59212401
3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methyl-N-(6-methyl-3-pyridinyl)benzamide
CID 59212346
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4H-imidazole-2-carboxamide
CID 163459698
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-propyl-4,5-dihydroimidazole-2-carboxamide
CID 70910893
4-cyano-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,5-dimethylpyrrole-2-carboxamide
CID 24953829
5-tert-butyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]furan-2-carboxamide
CID 59212377

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-(2-fluoroethyl)imidazole-2-carboxamide?
The IUPAC name of N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-(2-fluoroethyl)imidazole-2-carboxamide (CID 59212546) is N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-(2-fluoroethyl)imidazole-2-carboxamide.
What is the SMILES notation for N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-(2-fluoroethyl)imidazole-2-carboxamide?
The canonical SMILES for N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-(2-fluoroethyl)imidazole-2-carboxamide is Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3nccn3CCF)ccc1C)c(=O)n2C.
What is the InChIKey of N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-(2-fluoroethyl)imidazole-2-carboxamide?
The InChIKey is SOPFWPLQIVHYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2/c1-14-4-5-17(27-22(30)21-25-7-9-29(21)8-6-24)12-18(14)19-11-16-13-26-15(2)10-20(16)28(3)23(19)31/h4-5,7,9-13H,6,8H2,1-3H3,(H,27,30).
What are the key properties of N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-(2-fluoroethyl)imidazole-2-carboxamide?
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-(2-fluoroethyl)imidazole-2-carboxamide has a molecular weight of 419.46 g/mol, XLogP of 3.64, 5 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]-1-(2-fluoroethyl)imidazole-2-carboxamide is sourced from PubChem (CID 59212546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).