4-anilino-2-(4-chloroanilino)-6-oxo-1H-pyridine-3,5-dicarbonitrile

C19H12ClN5O — CID 1380777

IUPAC4-anilino-2-(4-chloroanilino)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(Nc2ccc(Cl)cc2)[nH]c(=O)c(C#N)c1Nc1ccccc1
InChIInChI=1S/C19H12ClN5O/c20-12-6-8-14(9-7-12)24-18-15(10-21)17(16(11-22)19(26)25-18)23-13-4-2-1-3-5-13/h1-9H,(H3,23,24,25,26)
InChIKeyRKZJUAAFAYLSDT-UHFFFAOYSA-N
MW361.79 g/mol
LogP4.26
Rot. Bonds4

About 4-anilino-2-(4-chloroanilino)-6-oxo-1H-pyridine-3,5-dicarbonitrile

4-anilino-2-(4-chloroanilino)-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 1380777) has the molecular formula C19H12ClN5O and a molecular weight of 361.79 g/mol. Its IUPAC name is 4-anilino-2-(4-chloroanilino)-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name4-anilino-2-(4-chloroanilino)-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID1380777
Molecular FormulaC19H12ClN5O
Molecular Weight361.79 g/mol
Exact Mass361.07
IUPAC Name4-anilino-2-(4-chloroanilino)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(Nc2ccc(Cl)cc2)[nH]c(=O)c(C#N)c1Nc1ccccc1
InChIInChI=1S/C19H12ClN5O/c20-12-6-8-14(9-7-12)24-18-15(10-21)17(16(11-22)19(26)25-18)23-13-4-2-1-3-5-13/h1-9H,(H3,23,24,25,26)
InChIKeyRKZJUAAFAYLSDT-UHFFFAOYSA-N
XLogP4.26
TPSA104.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.79
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-6-methyl-2,4(1H,3H)-pyrimidinedione
CID 3454747
6-(4-Chloro-phenylamino)-1H-pyrimidine-2,4-dione
CID 308646
4-(4-Chloroanilino)-6-hydroxy-2-methyl-5-pyrimidinecarbonitrile
CID 135442069
3-[(4-Chlorophenyl)amino]-2-cyano-2-butenamide
CID 785929
1-(4-Chlorophenyl)-4-oxo-2-sulfanyl-1,5-diazaspiro[5.5]undec-2-ene-3-carbonitrile
CID 1095920
N-(4-chlorophenyl)-2-cyano-3-(phenylamino)-3-sulfanylprop-2-enamide
CID 6306680
[5,6-bis(4-chloroanilino)-2-oxo-1H-pyridin-3-yl]iminothiourea
CID 136498956
N-(4-chlorophenyl)-2-cyano-2-(1,3-dihydro-2H-benzimidazol-2-ylidene)acetamide
CID 5294166
N-(3-chlorophenyl)-2-cyano-2-(1,3-dihydro-2H-benzimidazol-2-ylidene)acetamide
CID 5294167
2-Amino-1-(4-chlorophenyl)-4-(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile
CID 1034643
2-(4-Chloroanilino)-4-hydroxy-6-phenylpyrimidine-5-carbonitrile
CID 135533451
2-(4-Chloro-Phenylamino)-4-Cyclohexyl-6-Oxo-1,6-Dihydro-Pyrimidine-5-Carbonitrile
CID 136244263

Frequently Asked Questions

What is the IUPAC name of 4-anilino-2-(4-chloroanilino)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 4-anilino-2-(4-chloroanilino)-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 1380777) is 4-anilino-2-(4-chloroanilino)-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 4-anilino-2-(4-chloroanilino)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 4-anilino-2-(4-chloroanilino)-6-oxo-1H-pyridine-3,5-dicarbonitrile is N#Cc1c(Nc2ccc(Cl)cc2)[nH]c(=O)c(C#N)c1Nc1ccccc1.
What is the InChIKey of 4-anilino-2-(4-chloroanilino)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is RKZJUAAFAYLSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN5O/c20-12-6-8-14(9-7-12)24-18-15(10-21)17(16(11-22)19(26)25-18)23-13-4-2-1-3-5-13/h1-9H,(H3,23,24,25,26).
What are the key properties of 4-anilino-2-(4-chloroanilino)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
4-anilino-2-(4-chloroanilino)-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 361.79 g/mol, XLogP of 4.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-2-(4-chloroanilino)-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 1380777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).