6-acetyl-4-amino-8-(4-methylphenyl)-7-oxo-2,5-diphenyl-1,8-naphthyridine-3-carbonitrile

C30H22N4O2 — CID 71552565

IUPAC6-acetyl-4-amino-8-(4-methylphenyl)-7-oxo-2,5-diphenyl-1,8-naphthyridine-3-carbonitrile
SMILESCC(=O)c1c(-c2ccccc2)c2c(N)c(C#N)c(-c3ccccc3)nc2n(-c2ccc(C)cc2)c1=O
InChIInChI=1S/C30H22N4O2/c1-18-13-15-22(16-14-18)34-29-26(25(20-9-5-3-6-10-20)24(19(2)35)30(34)36)27(32)23(17-31)28(33-29)21-11-7-4-8-12-21/h3-16H,1-2H3,(H2,32,33)
InChIKeyMRKVHDAMVSBQNV-UHFFFAOYSA-N
MW470.53 g/mol
LogP5.68
Rot. Bonds4

About 6-acetyl-4-amino-8-(4-methylphenyl)-7-oxo-2,5-diphenyl-1,8-naphthyridine-3-carbonitrile

6-acetyl-4-amino-8-(4-methylphenyl)-7-oxo-2,5-diphenyl-1,8-naphthyridine-3-carbonitrile (PubChem CID 71552565) has the molecular formula C30H22N4O2 and a molecular weight of 470.53 g/mol. Its IUPAC name is 6-acetyl-4-amino-8-(4-methylphenyl)-7-oxo-2,5-diphenyl-1,8-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-acetyl-4-amino-8-(4-methylphenyl)-7-oxo-2,5-diphenyl-1,8-naphthyridine-3-carbonitrile
PubChem CID71552565
Molecular FormulaC30H22N4O2
Molecular Weight470.53 g/mol
Exact Mass470.17
IUPAC Name6-acetyl-4-amino-8-(4-methylphenyl)-7-oxo-2,5-diphenyl-1,8-naphthyridine-3-carbonitrile
SMILESCC(=O)c1c(-c2ccccc2)c2c(N)c(C#N)c(-c3ccccc3)nc2n(-c2ccc(C)cc2)c1=O
InChIInChI=1S/C30H22N4O2/c1-18-13-15-22(16-14-18)34-29-26(25(20-9-5-3-6-10-20)24(19(2)35)30(34)36)27(32)23(17-31)28(33-29)21-11-7-4-8-12-21/h3-16H,1-2H3,(H2,32,33)
InChIKeyMRKVHDAMVSBQNV-UHFFFAOYSA-N
XLogP5.68
TPSA101.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.53
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-acetyl-2,4-diamino-7-(4-methylphenyl)-8-oxo-5,10-diphenylpyrido[2,3-h][1,6]naphthyridine-3-carbonitrile
CID 71552641
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-4-(4-bromophenyl)-1-(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile
CID 71835247
2-amino-4-(4-methylphenyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile
CID 162537916
5-amino-2-methyl-6-phenylpyridine-3,4-dicarbonitrile
CID 71323044
3-amino-5-oxo-7-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,6-dicarbonitrile
CID 1285614
6-amino-1-(2-methylphenyl)-2-oxo-4-phenylpyrimidine-5-carbonitrile
CID 73292300
ethyl 5-cyano-4-(4-methylphenyl)-6-(2-methylpropyl)-2-phenylpyridine-3-carboxylate
CID 69445356
2-amino-1-(4-methylphenyl)-4-methylsulfanyl-6-oxopyrimidine-5-carbonitrile
CID 11807823
4-amino-2-(4-methylphenyl)pyrimido[1,2-b]indazole-3-carbonitrile
CID 132540085
4-amino-2,6-dimethyl-5-phenylpyridine-3-carbonitrile
CID 69458683

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-4-amino-8-(4-methylphenyl)-7-oxo-2,5-diphenyl-1,8-naphthyridine-3-carbonitrile?
The IUPAC name of 6-acetyl-4-amino-8-(4-methylphenyl)-7-oxo-2,5-diphenyl-1,8-naphthyridine-3-carbonitrile (CID 71552565) is 6-acetyl-4-amino-8-(4-methylphenyl)-7-oxo-2,5-diphenyl-1,8-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-acetyl-4-amino-8-(4-methylphenyl)-7-oxo-2,5-diphenyl-1,8-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-acetyl-4-amino-8-(4-methylphenyl)-7-oxo-2,5-diphenyl-1,8-naphthyridine-3-carbonitrile is CC(=O)c1c(-c2ccccc2)c2c(N)c(C#N)c(-c3ccccc3)nc2n(-c2ccc(C)cc2)c1=O.
What is the InChIKey of 6-acetyl-4-amino-8-(4-methylphenyl)-7-oxo-2,5-diphenyl-1,8-naphthyridine-3-carbonitrile?
The InChIKey is MRKVHDAMVSBQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N4O2/c1-18-13-15-22(16-14-18)34-29-26(25(20-9-5-3-6-10-20)24(19(2)35)30(34)36)27(32)23(17-31)28(33-29)21-11-7-4-8-12-21/h3-16H,1-2H3,(H2,32,33).
What are the key properties of 6-acetyl-4-amino-8-(4-methylphenyl)-7-oxo-2,5-diphenyl-1,8-naphthyridine-3-carbonitrile?
6-acetyl-4-amino-8-(4-methylphenyl)-7-oxo-2,5-diphenyl-1,8-naphthyridine-3-carbonitrile has a molecular weight of 470.53 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-4-amino-8-(4-methylphenyl)-7-oxo-2,5-diphenyl-1,8-naphthyridine-3-carbonitrile is sourced from PubChem (CID 71552565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).