9-acetyl-2,4-diamino-7-(4-methylphenyl)-8-oxo-5,10-diphenylpyrido[2,3-h][1,6]naphthyridine-3-carbonitrile

C33H24N6O2 — CID 71552641

IUPAC9-acetyl-2,4-diamino-7-(4-methylphenyl)-8-oxo-5,10-diphenylpyrido[2,3-h][1,6]naphthyridine-3-carbonitrile
SMILESCC(=O)c1c(-c2ccccc2)c2c3nc(N)c(C#N)c(N)c3c(-c3ccccc3)nc2n(-c2ccc(C)cc2)c1=O
InChIInChI=1S/C33H24N6O2/c1-18-13-15-22(16-14-18)39-32-26(25(20-9-5-3-6-10-20)24(19(2)40)33(39)41)30-27(28(35)23(17-34)31(36)37-30)29(38-32)21-11-7-4-8-12-21/h3-16H,1-2H3,(H4,35,36,37)
InChIKeyJUZMIWHOGXHNQV-UHFFFAOYSA-N
MW536.60 g/mol
LogP5.82
Rot. Bonds4

About 9-acetyl-2,4-diamino-7-(4-methylphenyl)-8-oxo-5,10-diphenylpyrido[2,3-h][1,6]naphthyridine-3-carbonitrile

9-acetyl-2,4-diamino-7-(4-methylphenyl)-8-oxo-5,10-diphenylpyrido[2,3-h][1,6]naphthyridine-3-carbonitrile (PubChem CID 71552641) has the molecular formula C33H24N6O2 and a molecular weight of 536.60 g/mol. Its IUPAC name is 9-acetyl-2,4-diamino-7-(4-methylphenyl)-8-oxo-5,10-diphenylpyrido[2,3-h][1,6]naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name9-acetyl-2,4-diamino-7-(4-methylphenyl)-8-oxo-5,10-diphenylpyrido[2,3-h][1,6]naphthyridine-3-carbonitrile
PubChem CID71552641
Molecular FormulaC33H24N6O2
Molecular Weight536.60 g/mol
Exact Mass536.20
IUPAC Name9-acetyl-2,4-diamino-7-(4-methylphenyl)-8-oxo-5,10-diphenylpyrido[2,3-h][1,6]naphthyridine-3-carbonitrile
SMILESCC(=O)c1c(-c2ccccc2)c2c3nc(N)c(C#N)c(N)c3c(-c3ccccc3)nc2n(-c2ccc(C)cc2)c1=O
InChIInChI=1S/C33H24N6O2/c1-18-13-15-22(16-14-18)39-32-26(25(20-9-5-3-6-10-20)24(19(2)40)33(39)41)30-27(28(35)23(17-34)31(36)37-30)29(38-32)21-11-7-4-8-12-21/h3-16H,1-2H3,(H4,35,36,37)
InChIKeyJUZMIWHOGXHNQV-UHFFFAOYSA-N
XLogP5.82
TPSA140.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.60
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-acetyl-4-amino-8-(4-methylphenyl)-7-oxo-2,5-diphenyl-1,8-naphthyridine-3-carbonitrile
CID 71552565
6-amino-1-(4-methylphenyl)-4-phenyl-2-sulfanylidenepyrimidine-5-carbonitrile
CID 5297911
2-amino-1-[4-(2-amino-3,5-dicyano-6-oxo-4-phenyl-1-pyridinyl)phenyl]-6-oxo-4-phenylpyridine-3,5-dicarbonitrile
CID 139225060
2-amino-5,6-dimethyl-4-(4-phenylphenyl)pyridine-3-carbonitrile
CID 4633808
13-amino-2,9,17-trioxo-15-phenyl-1,10,12-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,11(16),12,14-hexaene-14-carbonitrile
CID 11794207
4,6-diamino-3-phenylpyridine-2,5-dicarbonitrile
CID 91973425
5-amino-2-anilino-6-cyano-7-(4-methylphenyl)-N-phenylthieno[3,2-b]pyridine-3-carboxamide
CID 18874473
12-acetyl-4-amino-11-methyl-6-phenyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5-carbonitrile
CID 3111141
2-amino-4-(4-bromophenyl)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 5172784
2-amino-6-(3-chlorophenyl)-5-methyl-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 3324008
2-amino-4-(4-bromophenyl)-1-(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile
CID 71835247
6-[3-acetyl-5-methoxy-2-methyl-1-(4-methylphenyl)indol-6-yl]-2-amino-4-(4-chlorophenyl)pyridine-3-carbonitrile
CID 10506173

Frequently Asked Questions

What is the IUPAC name of 9-acetyl-2,4-diamino-7-(4-methylphenyl)-8-oxo-5,10-diphenylpyrido[2,3-h][1,6]naphthyridine-3-carbonitrile?
The IUPAC name of 9-acetyl-2,4-diamino-7-(4-methylphenyl)-8-oxo-5,10-diphenylpyrido[2,3-h][1,6]naphthyridine-3-carbonitrile (CID 71552641) is 9-acetyl-2,4-diamino-7-(4-methylphenyl)-8-oxo-5,10-diphenylpyrido[2,3-h][1,6]naphthyridine-3-carbonitrile.
What is the SMILES notation for 9-acetyl-2,4-diamino-7-(4-methylphenyl)-8-oxo-5,10-diphenylpyrido[2,3-h][1,6]naphthyridine-3-carbonitrile?
The canonical SMILES for 9-acetyl-2,4-diamino-7-(4-methylphenyl)-8-oxo-5,10-diphenylpyrido[2,3-h][1,6]naphthyridine-3-carbonitrile is CC(=O)c1c(-c2ccccc2)c2c3nc(N)c(C#N)c(N)c3c(-c3ccccc3)nc2n(-c2ccc(C)cc2)c1=O.
What is the InChIKey of 9-acetyl-2,4-diamino-7-(4-methylphenyl)-8-oxo-5,10-diphenylpyrido[2,3-h][1,6]naphthyridine-3-carbonitrile?
The InChIKey is JUZMIWHOGXHNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N6O2/c1-18-13-15-22(16-14-18)39-32-26(25(20-9-5-3-6-10-20)24(19(2)40)33(39)41)30-27(28(35)23(17-34)31(36)37-30)29(38-32)21-11-7-4-8-12-21/h3-16H,1-2H3,(H4,35,36,37).
What are the key properties of 9-acetyl-2,4-diamino-7-(4-methylphenyl)-8-oxo-5,10-diphenylpyrido[2,3-h][1,6]naphthyridine-3-carbonitrile?
9-acetyl-2,4-diamino-7-(4-methylphenyl)-8-oxo-5,10-diphenylpyrido[2,3-h][1,6]naphthyridine-3-carbonitrile has a molecular weight of 536.60 g/mol, XLogP of 5.82, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-acetyl-2,4-diamino-7-(4-methylphenyl)-8-oxo-5,10-diphenylpyrido[2,3-h][1,6]naphthyridine-3-carbonitrile is sourced from PubChem (CID 71552641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).