N-(7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-2-yl)-N-phenylbenzamide

C28H21N3O2 — CID 20791220

IUPACN-(7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-2-yl)-N-phenylbenzamide
SMILESCc1cc2c(cn1)c(=O)cc(N(C(=O)c1ccccc1)c1ccccc1)n2-c1ccccc1
InChIInChI=1S/C28H21N3O2/c1-20-17-25-24(19-29-20)26(32)18-27(30(25)22-13-7-3-8-14-22)31(23-15-9-4-10-16-23)28(33)21-11-5-2-6-12-21/h2-19H,1H3
InChIKeyOCVMUGIKUZOWCZ-UHFFFAOYSA-N
MW431.50 g/mol
LogP5.67
Rot. Bonds4

About N-(7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-2-yl)-N-phenylbenzamide

N-(7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-2-yl)-N-phenylbenzamide (PubChem CID 20791220) has the molecular formula C28H21N3O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-(7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-2-yl)-N-phenylbenzamide.

Molecular Properties

Compound NameN-(7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-2-yl)-N-phenylbenzamide
PubChem CID20791220
Molecular FormulaC28H21N3O2
Molecular Weight431.50 g/mol
Exact Mass431.16
IUPAC NameN-(7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-2-yl)-N-phenylbenzamide
SMILESCc1cc2c(cn1)c(=O)cc(N(C(=O)c1ccccc1)c1ccccc1)n2-c1ccccc1
InChIInChI=1S/C28H21N3O2/c1-20-17-25-24(19-29-20)26(32)18-27(30(25)22-13-7-3-8-14-22)31(23-15-9-4-10-16-23)28(33)21-11-5-2-6-12-21/h2-19H,1H3
InChIKeyOCVMUGIKUZOWCZ-UHFFFAOYSA-N
XLogP5.67
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.50
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyloxy-7-methyl-1-phenyl-1,6-naphthyridin-4-one
CID 20790938
2-hexan-3-ylsulfanyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one
CID 143113464
2-cyclohexa-1,5-dien-1-ylsulfinyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one
CID 142225721
3-benzyl-1-(5-methyl-4-oxo-1-phenyl-1,8-naphthyridin-2-yl)-1-phenylurea
CID 20791003
2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-7-carboxamide
CID 10155193
ethane;(3Z)-hexa-1,3,5-triene;N-(7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-2-yl)pentane-3-sulfinamide
CID 142224880
N-[[2-(cyclohexa-1,5-dien-1-ylamino)-4-oxo-1-phenyl-1,6-naphthyridin-7-yl]methyl]-N-phenylacetamide;molecular hydrogen
CID 143113448
2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-N-methoxy-N-methyl-4-oxo-1-phenyl-1,6-naphthyridine-7-carboxamide
CID 142224811
N-[3-[benzoyl(methyl)amino]phenyl]-N-methylbenzamide
CID 59642334
2-benzyl-7-ethylsulfanyl-1-phenyl-1,6-naphthyridin-4-one
CID 58694544
N-(3,5-dimethylphenyl)-N-methyl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 55919005
(2,5-dimethyl-4-pyridinyl)-phenylmethanone
CID 12954070

Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-2-yl)-N-phenylbenzamide?
The IUPAC name of N-(7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-2-yl)-N-phenylbenzamide (CID 20791220) is N-(7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-2-yl)-N-phenylbenzamide.
What is the SMILES notation for N-(7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-2-yl)-N-phenylbenzamide?
The canonical SMILES for N-(7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-2-yl)-N-phenylbenzamide is Cc1cc2c(cn1)c(=O)cc(N(C(=O)c1ccccc1)c1ccccc1)n2-c1ccccc1.
What is the InChIKey of N-(7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-2-yl)-N-phenylbenzamide?
The InChIKey is OCVMUGIKUZOWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O2/c1-20-17-25-24(19-29-20)26(32)18-27(30(25)22-13-7-3-8-14-22)31(23-15-9-4-10-16-23)28(33)21-11-5-2-6-12-21/h2-19H,1H3.
What are the key properties of N-(7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-2-yl)-N-phenylbenzamide?
N-(7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-2-yl)-N-phenylbenzamide has a molecular weight of 431.50 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-2-yl)-N-phenylbenzamide is sourced from PubChem (CID 20791220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).