N-[(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methyl]-N-phenylacetamide

C30H26N4O2 — CID 20791204

IUPACN-[(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methyl]-N-phenylacetamide
SMILESCC(=O)N(Cc1cc2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2nc1C)c1ccccc1
InChIInChI=1S/C30H26N4O2/c1-21-23(20-33(22(2)35)25-14-8-4-9-15-25)18-27-28(36)19-29(32-24-12-6-3-7-13-24)34(30(27)31-21)26-16-10-5-11-17-26/h3-19,32H,20H2,1-2H3
InChIKeyDNUVMXOALCVDTM-UHFFFAOYSA-N
MW474.56 g/mol
LogP5.99
Rot. Bonds6

About N-[(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methyl]-N-phenylacetamide

N-[(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methyl]-N-phenylacetamide (PubChem CID 20791204) has the molecular formula C30H26N4O2 and a molecular weight of 474.56 g/mol. Its IUPAC name is N-[(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methyl]-N-phenylacetamide
PubChem CID20791204
Molecular FormulaC30H26N4O2
Molecular Weight474.56 g/mol
Exact Mass474.21
IUPAC NameN-[(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methyl]-N-phenylacetamide
SMILESCC(=O)N(Cc1cc2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2nc1C)c1ccccc1
InChIInChI=1S/C30H26N4O2/c1-21-23(20-33(22(2)35)25-14-8-4-9-15-25)18-27-28(36)19-29(32-24-12-6-3-7-13-24)34(30(27)31-21)26-16-10-5-11-17-26/h3-19,32H,20H2,1-2H3
InChIKeyDNUVMXOALCVDTM-UHFFFAOYSA-N
XLogP5.99
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methyl]-N-phenylacetamide?
The IUPAC name of N-[(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methyl]-N-phenylacetamide (CID 20791204) is N-[(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methyl]-N-phenylacetamide.
What is the SMILES notation for N-[(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methyl]-N-phenylacetamide?
The canonical SMILES for N-[(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methyl]-N-phenylacetamide is CC(=O)N(Cc1cc2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2nc1C)c1ccccc1.
What is the InChIKey of N-[(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methyl]-N-phenylacetamide?
The InChIKey is DNUVMXOALCVDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O2/c1-21-23(20-33(22(2)35)25-14-8-4-9-15-25)18-27-28(36)19-29(32-24-12-6-3-7-13-24)34(30(27)31-21)26-16-10-5-11-17-26/h3-19,32H,20H2,1-2H3.
What are the key properties of N-[(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methyl]-N-phenylacetamide?
N-[(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methyl]-N-phenylacetamide has a molecular weight of 474.56 g/mol, XLogP of 5.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methyl]-N-phenylacetamide is sourced from PubChem (CID 20791204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).