4-(2-chlorophenyl)-5-cyano-6-hydroxy-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide

C20H16ClN3O2 — CID 23995233

IUPAC4-(2-chlorophenyl)-5-cyano-6-hydroxy-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccccc2Cl)C(C#N)=C(O)N1
InChIInChI=1S/C20H16ClN3O2/c1-12-17(20(26)24-13-7-3-2-4-8-13)18(15(11-22)19(25)23-12)14-9-5-6-10-16(14)21/h2-10,18,23,25H,1H3,(H,24,26)
InChIKeyLDDVGFMXBQIODM-UHFFFAOYSA-N
MW365.82 g/mol
LogP4.23
Rot. Bonds3

About 4-(2-chlorophenyl)-5-cyano-6-hydroxy-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide

4-(2-chlorophenyl)-5-cyano-6-hydroxy-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide (PubChem CID 23995233) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-5-cyano-6-hydroxy-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-5-cyano-6-hydroxy-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
PubChem CID23995233
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC Name4-(2-chlorophenyl)-5-cyano-6-hydroxy-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccccc2Cl)C(C#N)=C(O)N1
InChIInChI=1S/C20H16ClN3O2/c1-12-17(20(26)24-13-7-3-2-4-8-13)18(15(11-22)19(25)23-12)14-9-5-6-10-16(14)21/h2-10,18,23,25H,1H3,(H,24,26)
InChIKeyLDDVGFMXBQIODM-UHFFFAOYSA-N
XLogP4.23
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-6-butylsulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
CID 28717769
(4R)-6-(2-anilino-2-oxoethyl)sulfanyl-4-(2-chlorophenyl)-N-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxamide
CID 98368105
(4S)-6-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
CID 98368017
(4R)-4-(2-chlorophenyl)-5-cyano-2-methyl-6-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
CID 98367851
(4S)-4-(2-chlorophenyl)-5-cyano-2-methyl-6-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
CID 1133750
(4S)-4-(2-chlorophenyl)-5-cyano-6-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
CID 98367989
(4S)-4-(2-chlorophenyl)-5-cyano-6-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanyl-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
CID 98368072
methyl 2-[[2-[[(4R)-4-(2-chlorophenyl)-3-cyano-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetyl]amino]benzoate
CID 98158824
(4S)-4-(2-chlorophenyl)-N-(4-chlorophenyl)-5-cyano-2-methyl-6-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxamide
CID 98367863
(4S)-6-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(2-fluorophenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
CID 98368328
6-amino-4-(2-chlorophenyl)-N-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxamide
CID 3346478
4-(2-chlorophenyl)-N-(4-chlorophenyl)-5-cyano-2-methyl-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxamide
CID 23938715

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-5-cyano-6-hydroxy-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-5-cyano-6-hydroxy-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide (CID 23995233) is 4-(2-chlorophenyl)-5-cyano-6-hydroxy-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-5-cyano-6-hydroxy-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-5-cyano-6-hydroxy-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide is CC1=C(C(=O)Nc2ccccc2)C(c2ccccc2Cl)C(C#N)=C(O)N1.
What is the InChIKey of 4-(2-chlorophenyl)-5-cyano-6-hydroxy-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide?
The InChIKey is LDDVGFMXBQIODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2/c1-12-17(20(26)24-13-7-3-2-4-8-13)18(15(11-22)19(25)23-12)14-9-5-6-10-16(14)21/h2-10,18,23,25H,1H3,(H,24,26).
What are the key properties of 4-(2-chlorophenyl)-5-cyano-6-hydroxy-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide?
4-(2-chlorophenyl)-5-cyano-6-hydroxy-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide has a molecular weight of 365.82 g/mol, XLogP of 4.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-5-cyano-6-hydroxy-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide is sourced from PubChem (CID 23995233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).