2-amino-4-(2-methoxyphenyl)-6-sulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile

C14H12N4OS — CID 3745030

IUPAC2-amino-4-(2-methoxyphenyl)-6-sulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCOc1ccccc1C1C(C#N)=C(N)NC(S)=C1C#N
InChIInChI=1S/C14H12N4OS/c1-19-11-5-3-2-4-8(11)12-9(6-15)13(17)18-14(20)10(12)7-16/h2-5,12,18,20H,17H2,1H3
InChIKeyUJVJFYGQKRHXKQ-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.74
Rot. Bonds2

About 2-amino-4-(2-methoxyphenyl)-6-sulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile

2-amino-4-(2-methoxyphenyl)-6-sulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 3745030) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-amino-4-(2-methoxyphenyl)-6-sulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-methoxyphenyl)-6-sulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID3745030
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name2-amino-4-(2-methoxyphenyl)-6-sulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCOc1ccccc1C1C(C#N)=C(N)NC(S)=C1C#N
InChIInChI=1S/C14H12N4OS/c1-19-11-5-3-2-4-8(11)12-9(6-15)13(17)18-14(20)10(12)7-16/h2-5,12,18,20H,17H2,1H3
InChIKeyUJVJFYGQKRHXKQ-UHFFFAOYSA-N
XLogP1.74
TPSA94.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-amino-4-(2-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 645658
6-amino-4-(2-methoxyphenyl)-3-methyl-3,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 162294921
2-amino-4-(2-methoxyphenyl)-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile
CID 2844703
6-amino-5-cyano-4-(2-fluorophenyl)-2-sulfanyl-1,4-dihydropyridine-3-carboxamide
CID 4255221
7-amino-5-(2-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 139241869
(1S)-3-amino-1-(2-methoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 968492
(4S)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-phenyl-6-sulfanyl-1,4-dihydropyridine-3-carboxamide
CID 1360587
2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 4645991
(4R)-2-amino-4-(2-methoxyphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile
CID 7556269
(4R)-2-amino-6-chloro-7-hydroxy-4-(2-methoxyphenyl)-4H-chromene-3-carbonitrile
CID 791384
2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
CID 143690374
9-(2-methoxyphenyl)-9H-fluorene
CID 10492416

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-methoxyphenyl)-6-sulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(2-methoxyphenyl)-6-sulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile (CID 3745030) is 2-amino-4-(2-methoxyphenyl)-6-sulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(2-methoxyphenyl)-6-sulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(2-methoxyphenyl)-6-sulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile is COc1ccccc1C1C(C#N)=C(N)NC(S)=C1C#N.
What is the InChIKey of 2-amino-4-(2-methoxyphenyl)-6-sulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is UJVJFYGQKRHXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c1-19-11-5-3-2-4-8(11)12-9(6-15)13(17)18-14(20)10(12)7-16/h2-5,12,18,20H,17H2,1H3.
What are the key properties of 2-amino-4-(2-methoxyphenyl)-6-sulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile?
2-amino-4-(2-methoxyphenyl)-6-sulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 284.34 g/mol, XLogP of 1.74, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-methoxyphenyl)-6-sulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 3745030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).