2-amino-1-[4-(2-amino-3,5-dicyano-6-oxo-4-phenyl-1-pyridinyl)phenyl]-6-oxo-4-phenylpyridine-3,5-dicarbonitrile

C32H18N8O2 — CID 139225060

IUPAC2-amino-1-[4-(2-amino-3,5-dicyano-6-oxo-4-phenyl-1-pyridinyl)phenyl]-6-oxo-4-phenylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(-c2ccccc2)c(C#N)c(=O)n(-c2ccc(-n3c(N)c(C#N)c(-c4ccccc4)c(C#N)c3=O)cc2)c1N
InChIInChI=1S/C32H18N8O2/c33-15-23-27(19-7-3-1-4-8-19)25(17-35)31(41)39(29(23)37)21-11-13-22(14-12-21)40-30(38)24(16-34)28(26(18-36)32(40)42)20-9-5-2-6-10-20/h1-14H,37-38H2
InChIKeyMZWBKYSGOMLZEG-UHFFFAOYSA-N
MW546.55 g/mol
LogP3.97
Rot. Bonds4

About 2-amino-1-[4-(2-amino-3,5-dicyano-6-oxo-4-phenyl-1-pyridinyl)phenyl]-6-oxo-4-phenylpyridine-3,5-dicarbonitrile

2-amino-1-[4-(2-amino-3,5-dicyano-6-oxo-4-phenyl-1-pyridinyl)phenyl]-6-oxo-4-phenylpyridine-3,5-dicarbonitrile (PubChem CID 139225060) has the molecular formula C32H18N8O2 and a molecular weight of 546.55 g/mol. Its IUPAC name is 2-amino-1-[4-(2-amino-3,5-dicyano-6-oxo-4-phenyl-1-pyridinyl)phenyl]-6-oxo-4-phenylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-1-[4-(2-amino-3,5-dicyano-6-oxo-4-phenyl-1-pyridinyl)phenyl]-6-oxo-4-phenylpyridine-3,5-dicarbonitrile
PubChem CID139225060
Molecular FormulaC32H18N8O2
Molecular Weight546.55 g/mol
Exact Mass546.16
IUPAC Name2-amino-1-[4-(2-amino-3,5-dicyano-6-oxo-4-phenyl-1-pyridinyl)phenyl]-6-oxo-4-phenylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(-c2ccccc2)c(C#N)c(=O)n(-c2ccc(-n3c(N)c(C#N)c(-c4ccccc4)c(C#N)c3=O)cc2)c1N
InChIInChI=1S/C32H18N8O2/c33-15-23-27(19-7-3-1-4-8-19)25(17-35)31(41)39(29(23)37)21-11-13-22(14-12-21)40-30(38)24(16-34)28(26(18-36)32(40)42)20-9-5-2-6-10-20/h1-14H,37-38H2
InChIKeyMZWBKYSGOMLZEG-UHFFFAOYSA-N
XLogP3.97
TPSA191.20 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.55
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

2-amino-4-(4-bromophenyl)-1-(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile
CID 71835247
2-amino-4-(4-chlorophenyl)-1-(4-methoxyphenyl)-6-oxopyridine-3,5-dicarbonitrile
CID 11689362
2-amino-4-(4-methylphenyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile
CID 162537916
2-amino-4-(3-chlorophenyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile
CID 162537920
2-amino-4-[4-(dimethylamino)phenyl]-1-(2-ethylphenyl)-6-oxopyridine-3,5-dicarbonitrile
CID 54613355
4-(2-amino-3,4-dicyano-5-phenylpyrrol-1-yl)benzoic acid
CID 660267
2-amino-4-(4-methylphenyl)-1-(4-methyl-2-pyridinyl)-6-oxopyridine-3,5-dicarbonitrile
CID 155810322
6-amino-1-(4-methylphenyl)-4-phenyl-2-sulfanylidenepyrimidine-5-carbonitrile
CID 5297911
3-amino-1-oxo-2-[4-(trifluoromethyl)phenyl]-9H-indeno[2,1-c]pyridine-4-carbonitrile
CID 122224733
1-[4-[4-(3-cyano-4-methyl-2-oxo-6-phenyl-1-pyridinyl)phenyl]sulfonylphenyl]-4-methyl-2-oxo-6-phenylpyridine-3-carbonitrile
CID 66553470
1-[2-(3,5-dicyano-2-methylsulfanyl-6-oxo-4-phenyl-1-pyridinyl)ethyl]-2-methylsulfanyl-6-oxo-4-phenylpyridine-3,5-dicarbonitrile
CID 102521339
6-acetyl-4-amino-8-(4-methylphenyl)-7-oxo-2,5-diphenyl-1,8-naphthyridine-3-carbonitrile
CID 71552565

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2-amino-3,5-dicyano-6-oxo-4-phenyl-1-pyridinyl)phenyl]-6-oxo-4-phenylpyridine-3,5-dicarbonitrile?
The IUPAC name of 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) is 2-amino-1-[4-(2-amino-3,5-dicyano-6-oxo-4-phenyl-1-pyridinyl)phenyl]-6-oxo-4-phenylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-1-[4-(2-amino-3,5-dicyano-6-oxo-4-phenyl-1-pyridinyl)phenyl]-6-oxo-4-phenylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-1-[4-(2-amino-3,5-dicyano-6-oxo-4-phenyl-1-pyridinyl)phenyl]-6-oxo-4-phenylpyridine-3,5-dicarbonitrile is N#Cc1c(-c2ccccc2)c(C#N)c(=O)n(-c2ccc(-n3c(N)c(C#N)c(-c4ccccc4)c(C#N)c3=O)cc2)c1N.
What is the InChIKey of 2-amino-1-[4-(2-amino-3,5-dicyano-6-oxo-4-phenyl-1-pyridinyl)phenyl]-6-oxo-4-phenylpyridine-3,5-dicarbonitrile?
The InChIKey is MZWBKYSGOMLZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N8O2/c33-15-23-27(19-7-3-1-4-8-19)25(17-35)31(41)39(29(23)37)21-11-13-22(14-12-21)40-30(38)24(16-34)28(26(18-36)32(40)42)20-9-5-2-6-10-20/h1-14H,37-38H2.
What are the key properties of 2-amino-1-[4-(2-amino-3,5-dicyano-6-oxo-4-phenyl-1-pyridinyl)phenyl]-6-oxo-4-phenylpyridine-3,5-dicarbonitrile?
2-amino-1-[4-(2-amino-3,5-dicyano-6-oxo-4-phenyl-1-pyridinyl)phenyl]-6-oxo-4-phenylpyridine-3,5-dicarbonitrile has a molecular weight of 546.55 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(2-amino-3,5-dicyano-6-oxo-4-phenyl-1-pyridinyl)phenyl]-6-oxo-4-phenylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 139225060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).