(4R)-2-amino-4-(3-chlorophenyl)-3-cyano-6-sulfanyl-3,4-dihydropyridine-5-carboxamide

C13H11ClN4OS — CID 7358664

IUPAC(4R)-2-amino-4-(3-chlorophenyl)-3-cyano-6-sulfanyl-3,4-dihydropyridine-5-carboxamide
SMILESN#CC1C(N)=NC(S)=C(C(N)=O)[C@H]1c1cccc(Cl)c1
InChIInChI=1S/C13H11ClN4OS/c14-7-3-1-2-6(4-7)9-8(5-15)11(16)18-13(20)10(9)12(17)19/h1-4,8-9,20H,(H2,16,18)(H2,17,19)/t8?,9-/m0/s1
InChIKeyQGKUFLHEUCVSLZ-GKAPJAKFSA-N
MW306.78 g/mol
LogP1.56
Rot. Bonds2

About (4R)-2-amino-4-(3-chlorophenyl)-3-cyano-6-sulfanyl-3,4-dihydropyridine-5-carboxamide

(4R)-2-amino-4-(3-chlorophenyl)-3-cyano-6-sulfanyl-3,4-dihydropyridine-5-carboxamide (PubChem CID 7358664) has the molecular formula C13H11ClN4OS and a molecular weight of 306.78 g/mol. Its IUPAC name is (4R)-2-amino-4-(3-chlorophenyl)-3-cyano-6-sulfanyl-3,4-dihydropyridine-5-carboxamide.

Molecular Properties

Compound Name(4R)-2-amino-4-(3-chlorophenyl)-3-cyano-6-sulfanyl-3,4-dihydropyridine-5-carboxamide
PubChem CID7358664
Molecular FormulaC13H11ClN4OS
Molecular Weight306.78 g/mol
Exact Mass306.03
IUPAC Name(4R)-2-amino-4-(3-chlorophenyl)-3-cyano-6-sulfanyl-3,4-dihydropyridine-5-carboxamide
SMILESN#CC1C(N)=NC(S)=C(C(N)=O)[C@H]1c1cccc(Cl)c1
InChIInChI=1S/C13H11ClN4OS/c14-7-3-1-2-6(4-7)9-8(5-15)11(16)18-13(20)10(9)12(17)19/h1-4,8-9,20H,(H2,16,18)(H2,17,19)/t8?,9-/m0/s1
InChIKeyQGKUFLHEUCVSLZ-GKAPJAKFSA-N
XLogP1.56
TPSA105.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.78
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

ethyl (4S)-4-(3-chlorophenyl)-5-cyano-2-methyl-6-sulfanyl-3,4-dihydropyridine-3-carboxylate
CID 7736585
prop-2-enyl 2-amino-3-cyano-4-(3-fluorophenyl)-6-methyl-3,4-dihydropyridine-5-carboxylate
CID 123983825
(4S)-5-acetyl-2-amino-4-(2-chlorophenyl)-6-methyl-3,4-dihydropyridine-3-carbonitrile
CID 6956939
ethyl 4-(3-chlorophenyl)-5-cyano-6-methyl-2-oxo-4,5-dihydropyrimidine-3-carboxylate
CID 90882321
4-amino-5-(3-chlorophenyl)-1,5-dihydroimidazol-2-one
CID 79960805
7-amino-4-(3-chlorophenyl)-2-imino-3,4-dihydrochromene-3-carbonitrile
CID 90907255
2-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide
CID 175097065
trans-(1S,2S)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 131139995
1-amino-3-(3-chlorophenyl)cyclobutane-1-carbonitrile
CID 131579141
3-cyano-6-methyl-2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-4-phenyl-3,4-dihydropyridine-5-carboxamide
CID 91182231
(1R,2S,3R)-1-(1-amino-2,2-dicyanoethenyl)-3-(3-chlorophenyl)cyclopropane-1,2-dicarbonitrile
CID 95166564
(1R,2R,3R)-1-(1-amino-2,2-dicyanoethenyl)-3-(3-chlorophenyl)cyclopropane-1,2-dicarbonitrile
CID 95166566

Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-4-(3-chlorophenyl)-3-cyano-6-sulfanyl-3,4-dihydropyridine-5-carboxamide?
The IUPAC name of (4R)-2-amino-4-(3-chlorophenyl)-3-cyano-6-sulfanyl-3,4-dihydropyridine-5-carboxamide (CID 7358664) is (4R)-2-amino-4-(3-chlorophenyl)-3-cyano-6-sulfanyl-3,4-dihydropyridine-5-carboxamide.
What is the SMILES notation for (4R)-2-amino-4-(3-chlorophenyl)-3-cyano-6-sulfanyl-3,4-dihydropyridine-5-carboxamide?
The canonical SMILES for (4R)-2-amino-4-(3-chlorophenyl)-3-cyano-6-sulfanyl-3,4-dihydropyridine-5-carboxamide is N#CC1C(N)=NC(S)=C(C(N)=O)[C@H]1c1cccc(Cl)c1.
What is the InChIKey of (4R)-2-amino-4-(3-chlorophenyl)-3-cyano-6-sulfanyl-3,4-dihydropyridine-5-carboxamide?
The InChIKey is QGKUFLHEUCVSLZ-GKAPJAKFSA-N. The full InChI is InChI=1S/C13H11ClN4OS/c14-7-3-1-2-6(4-7)9-8(5-15)11(16)18-13(20)10(9)12(17)19/h1-4,8-9,20H,(H2,16,18)(H2,17,19)/t8?,9-/m0/s1.
What are the key properties of (4R)-2-amino-4-(3-chlorophenyl)-3-cyano-6-sulfanyl-3,4-dihydropyridine-5-carboxamide?
(4R)-2-amino-4-(3-chlorophenyl)-3-cyano-6-sulfanyl-3,4-dihydropyridine-5-carboxamide has a molecular weight of 306.78 g/mol, XLogP of 1.56, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-4-(3-chlorophenyl)-3-cyano-6-sulfanyl-3,4-dihydropyridine-5-carboxamide is sourced from PubChem (CID 7358664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).