methyl 3-[[6-(dimethylcarbamoyl)-3-pyridinyl]methyl]-7-methyl-4-oxo-1-phenyl-1,8-naphthyridine-2-carboxylate

C26H24N4O4 — CID 25119787

IUPACmethyl 3-[[6-(dimethylcarbamoyl)-3-pyridinyl]methyl]-7-methyl-4-oxo-1-phenyl-1,8-naphthyridine-2-carboxylate
SMILESCOC(=O)c1c(Cc2ccc(C(=O)N(C)C)nc2)c(=O)c2ccc(C)nc2n1-c1ccccc1
InChIInChI=1S/C26H24N4O4/c1-16-10-12-19-23(31)20(14-17-11-13-21(27-15-17)25(32)29(2)3)22(26(33)34-4)30(24(19)28-16)18-8-6-5-7-9-18/h5-13,15H,14H2,1-4H3
InChIKeyWQBDGUJDZFVVJU-UHFFFAOYSA-N
MW456.50 g/mol
LogP3.17
Rot. Bonds5

About methyl 3-[[6-(dimethylcarbamoyl)-3-pyridinyl]methyl]-7-methyl-4-oxo-1-phenyl-1,8-naphthyridine-2-carboxylate

methyl 3-[[6-(dimethylcarbamoyl)-3-pyridinyl]methyl]-7-methyl-4-oxo-1-phenyl-1,8-naphthyridine-2-carboxylate (PubChem CID 25119787) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is methyl 3-[[6-(dimethylcarbamoyl)-3-pyridinyl]methyl]-7-methyl-4-oxo-1-phenyl-1,8-naphthyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[6-(dimethylcarbamoyl)-3-pyridinyl]methyl]-7-methyl-4-oxo-1-phenyl-1,8-naphthyridine-2-carboxylate
PubChem CID25119787
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC Namemethyl 3-[[6-(dimethylcarbamoyl)-3-pyridinyl]methyl]-7-methyl-4-oxo-1-phenyl-1,8-naphthyridine-2-carboxylate
SMILESCOC(=O)c1c(Cc2ccc(C(=O)N(C)C)nc2)c(=O)c2ccc(C)nc2n1-c1ccccc1
InChIInChI=1S/C26H24N4O4/c1-16-10-12-19-23(31)20(14-17-11-13-21(27-15-17)25(32)29(2)3)22(26(33)34-4)30(24(19)28-16)18-8-6-5-7-9-18/h5-13,15H,14H2,1-4H3
InChIKeyWQBDGUJDZFVVJU-UHFFFAOYSA-N
XLogP3.17
TPSA94.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[6-(dimethylcarbamoyl)-3-pyridinyl]methyl]-7-methyl-4-oxo-1-phenyl-1,8-naphthyridine-2-carboxylate 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

methyl 7-chloro-3-[[4-(methylcarbamoyl)phenyl]methyl]-4-oxo-1-phenylquinoline-2-carboxylate
CID 59846189
4-[(7-chloro-2-methoxycarbonyl-4-oxo-1-phenylquinolin-3-yl)methyl]benzoic acid;methyl 7-chloro-3-[[4-[[4-(dimethylamino)-2-methyl-4-oxobutan-2-yl]carbamoyl]phenyl]methyl]-4-oxo-1-phenylquinoline-2-carboxylate
CID 158937770
2-anilino-7-methyl-3-(N-methylanilino)-1-phenyl-1,8-naphthyridin-4-one
CID 20790810
methyl 3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-2-carboxylate
CID 71208651
methyl 7-chloro-4-oxo-1-phenyl-3-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxylate
CID 59846273
methyl 7-chloro-3-ethyl-4-oxo-1-phenylquinoline-2-carboxylate
CID 118601550
ethyl 3-benzyl-7-chloro-4-oxo-1-phenylquinoline-2-carboxylate
CID 59846219
methyl 7-chloro-3-[[4-(1-hydroxypropan-2-ylsulfonyl)phenyl]methyl]-4-oxo-1-phenylquinoline-2-carboxylate
CID 59846246
methyl 7-fluoro-3-[[4-(1-hydroxypropan-2-ylsulfonyl)phenyl]methyl]-4-oxo-1-phenylquinoline-2-carboxylate
CID 59846190
methyl 3-cyclopropyl-5,7-dimethyl-4-oxo-1-phenyl-1,8-naphthyridine-2-carboxylate
CID 142701713
methyl 3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 29057460
methyl 3-(2-anilino-2-oxoethyl)-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250645

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[6-(dimethylcarbamoyl)-3-pyridinyl]methyl]-7-methyl-4-oxo-1-phenyl-1,8-naphthyridine-2-carboxylate?
The IUPAC name of methyl 3-[[6-(dimethylcarbamoyl)-3-pyridinyl]methyl]-7-methyl-4-oxo-1-phenyl-1,8-naphthyridine-2-carboxylate (CID 25119787) is methyl 3-[[6-(dimethylcarbamoyl)-3-pyridinyl]methyl]-7-methyl-4-oxo-1-phenyl-1,8-naphthyridine-2-carboxylate.
What is the SMILES notation for methyl 3-[[6-(dimethylcarbamoyl)-3-pyridinyl]methyl]-7-methyl-4-oxo-1-phenyl-1,8-naphthyridine-2-carboxylate?
The canonical SMILES for methyl 3-[[6-(dimethylcarbamoyl)-3-pyridinyl]methyl]-7-methyl-4-oxo-1-phenyl-1,8-naphthyridine-2-carboxylate is COC(=O)c1c(Cc2ccc(C(=O)N(C)C)nc2)c(=O)c2ccc(C)nc2n1-c1ccccc1.
What is the InChIKey of methyl 3-[[6-(dimethylcarbamoyl)-3-pyridinyl]methyl]-7-methyl-4-oxo-1-phenyl-1,8-naphthyridine-2-carboxylate?
The InChIKey is WQBDGUJDZFVVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-16-10-12-19-23(31)20(14-17-11-13-21(27-15-17)25(32)29(2)3)22(26(33)34-4)30(24(19)28-16)18-8-6-5-7-9-18/h5-13,15H,14H2,1-4H3.
What are the key properties of methyl 3-[[6-(dimethylcarbamoyl)-3-pyridinyl]methyl]-7-methyl-4-oxo-1-phenyl-1,8-naphthyridine-2-carboxylate?
methyl 3-[[6-(dimethylcarbamoyl)-3-pyridinyl]methyl]-7-methyl-4-oxo-1-phenyl-1,8-naphthyridine-2-carboxylate has a molecular weight of 456.50 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[6-(dimethylcarbamoyl)-3-pyridinyl]methyl]-7-methyl-4-oxo-1-phenyl-1,8-naphthyridine-2-carboxylate is sourced from PubChem (CID 25119787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).