6-benzyl-N-(2,5-dimethylphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide

C25H23N3O2 — CID 20947019

IUPAC6-benzyl-N-(2,5-dimethylphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc3c(=O)n(Cc4ccccc4)ccc3nc2C)c1
InChIInChI=1S/C25H23N3O2/c1-16-9-10-17(2)23(13-16)27-24(29)20-14-21-22(26-18(20)3)11-12-28(25(21)30)15-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3,(H,27,29)
InChIKeySMRFZLNVCYJZPU-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.62
Rot. Bonds4

About 6-benzyl-N-(2,5-dimethylphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide

6-benzyl-N-(2,5-dimethylphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide (PubChem CID 20947019) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 6-benzyl-N-(2,5-dimethylphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-benzyl-N-(2,5-dimethylphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide
PubChem CID20947019
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name6-benzyl-N-(2,5-dimethylphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc3c(=O)n(Cc4ccccc4)ccc3nc2C)c1
InChIInChI=1S/C25H23N3O2/c1-16-9-10-17(2)23(13-16)27-24(29)20-14-21-22(26-18(20)3)11-12-28(25(21)30)15-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3,(H,27,29)
InChIKeySMRFZLNVCYJZPU-UHFFFAOYSA-N
XLogP4.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-methoxyphenyl)methyl]-2-methyl-N-(2-methylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide
CID 46339843
6-benzyl-N-(4-fluorophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide
CID 46339999
6-benzyl-2-methyl-N-(3-methylsulfanylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide
CID 20947021
6-benzyl-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide
CID 169248825
6-(2-methoxyethyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide
CID 46339967
6-(furan-2-ylmethyl)-2-methyl-5-oxo-N-(3-phenylpropyl)-1,6-naphthyridine-3-carboxamide
CID 20946822
6-(2-methoxyethyl)-2-methyl-N-(3-methylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide
CID 46339963
N-(2,5-dimethylphenyl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7597915
2-methyl-5-oxo-N-(pyridin-2-ylmethyl)-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxamide
CID 169248748
N-(2,5-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598638
1-(1-benzyl-3-methyl-2-oxoquinoxalin-6-yl)-3-(2,5-dimethylphenyl)urea
CID 46259435
6-[(4-chloro-3-fluorophenyl)methyl]-2-methyl-5-oxo-N-(pyridin-2-ylmethyl)-1,6-naphthyridine-3-carboxamide
CID 170306689

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-N-(2,5-dimethylphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide?
The IUPAC name of 6-benzyl-N-(2,5-dimethylphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide (CID 20947019) is 6-benzyl-N-(2,5-dimethylphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-benzyl-N-(2,5-dimethylphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for 6-benzyl-N-(2,5-dimethylphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide is Cc1ccc(C)c(NC(=O)c2cc3c(=O)n(Cc4ccccc4)ccc3nc2C)c1.
What is the InChIKey of 6-benzyl-N-(2,5-dimethylphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide?
The InChIKey is SMRFZLNVCYJZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-16-9-10-17(2)23(13-16)27-24(29)20-14-21-22(26-18(20)3)11-12-28(25(21)30)15-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3,(H,27,29).
What are the key properties of 6-benzyl-N-(2,5-dimethylphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide?
6-benzyl-N-(2,5-dimethylphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-N-(2,5-dimethylphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 20947019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).