(4R)-2-amino-4-(2-chlorophenyl)-6-(1-cyano-2-iminoethenyl)-3,4-dihydropyridine-3,5-dicarbonitrile

C16H9ClN6 — CID 7336478

IUPAC(4R)-2-amino-4-(2-chlorophenyl)-6-(1-cyano-2-iminoethenyl)-3,4-dihydropyridine-3,5-dicarbonitrile
SMILESN#CC(=C=N)C1=C(C#N)[C@H](c2ccccc2Cl)C(C#N)C(N)=N1
InChIInChI=1S/C16H9ClN6/c17-13-4-2-1-3-10(13)14-11(7-20)15(9(5-18)6-19)23-16(22)12(14)8-21/h1-4,12,14,18H,(H2,22,23)/t12?,14-/m0/s1
InChIKeyDNMCKXYZISLEFL-PYMCNQPYSA-N
MW320.74 g/mol
LogP2.41
Rot. Bonds2

About (4R)-2-amino-4-(2-chlorophenyl)-6-(1-cyano-2-iminoethenyl)-3,4-dihydropyridine-3,5-dicarbonitrile

(4R)-2-amino-4-(2-chlorophenyl)-6-(1-cyano-2-iminoethenyl)-3,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 7336478) has the molecular formula C16H9ClN6 and a molecular weight of 320.74 g/mol. Its IUPAC name is (4R)-2-amino-4-(2-chlorophenyl)-6-(1-cyano-2-iminoethenyl)-3,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name(4R)-2-amino-4-(2-chlorophenyl)-6-(1-cyano-2-iminoethenyl)-3,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID7336478
Molecular FormulaC16H9ClN6
Molecular Weight320.74 g/mol
Exact Mass320.06
IUPAC Name(4R)-2-amino-4-(2-chlorophenyl)-6-(1-cyano-2-iminoethenyl)-3,4-dihydropyridine-3,5-dicarbonitrile
SMILESN#CC(=C=N)C1=C(C#N)[C@H](c2ccccc2Cl)C(C#N)C(N)=N1
InChIInChI=1S/C16H9ClN6/c17-13-4-2-1-3-10(13)14-11(7-20)15(9(5-18)6-19)23-16(22)12(14)8-21/h1-4,12,14,18H,(H2,22,23)/t12?,14-/m0/s1
InChIKeyDNMCKXYZISLEFL-PYMCNQPYSA-N
XLogP2.41
TPSA133.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.74
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(4S)-5-acetyl-2-amino-4-(2-chlorophenyl)-6-methyl-3,4-dihydropyridine-3-carbonitrile
CID 6956939
(4S,4aR)-4-(2-chlorophenyl)-2-methylsulfanyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile
CID 7986535
2-amino-4-(2-chlorophenyl)-6-sulfanylidenepiperidine-3,5-dicarbonitrile
CID 73450753
N-(4-bromophenyl)-2-[[(3R,4S)-4-(2-chlorophenyl)-3,5-dicyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
CID 1037767
6-amino-4-(2-chlorophenyl)-3-methyl-1,2,3,3a,4,7a-hexahydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 71628556
(3aR,4R,7aS)-6-amino-4-(2-chlorophenyl)-3-(trifluoromethyl)-1,3a,4,7a-tetrahydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 40547096
(4S)-6-amino-3-tert-butyl-4-(2-chlorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 701596
(4S)-2-amino-4-(2-chlorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 903650
(3S,5R)-2-amino-5-(2-chlorophenyl)-3-hydroxy-3-phenylcyclopentene-1-carbonitrile
CID 100913654
(4R)-2-amino-4-(3-chlorophenyl)-3-cyano-6-sulfanyl-3,4-dihydropyridine-5-carboxamide
CID 7358664
2,6-diamino-4-(2-chlorophenyl)-1-propyl-4H-pyridine-3,5-dicarbonitrile
CID 122217476
(4S)-2-amino-4-(2-chlorophenyl)-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile
CID 28611974

Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-4-(2-chlorophenyl)-6-(1-cyano-2-iminoethenyl)-3,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of (4R)-2-amino-4-(2-chlorophenyl)-6-(1-cyano-2-iminoethenyl)-3,4-dihydropyridine-3,5-dicarbonitrile (CID 7336478) is (4R)-2-amino-4-(2-chlorophenyl)-6-(1-cyano-2-iminoethenyl)-3,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for (4R)-2-amino-4-(2-chlorophenyl)-6-(1-cyano-2-iminoethenyl)-3,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for (4R)-2-amino-4-(2-chlorophenyl)-6-(1-cyano-2-iminoethenyl)-3,4-dihydropyridine-3,5-dicarbonitrile is N#CC(=C=N)C1=C(C#N)[C@H](c2ccccc2Cl)C(C#N)C(N)=N1.
What is the InChIKey of (4R)-2-amino-4-(2-chlorophenyl)-6-(1-cyano-2-iminoethenyl)-3,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is DNMCKXYZISLEFL-PYMCNQPYSA-N. The full InChI is InChI=1S/C16H9ClN6/c17-13-4-2-1-3-10(13)14-11(7-20)15(9(5-18)6-19)23-16(22)12(14)8-21/h1-4,12,14,18H,(H2,22,23)/t12?,14-/m0/s1.
What are the key properties of (4R)-2-amino-4-(2-chlorophenyl)-6-(1-cyano-2-iminoethenyl)-3,4-dihydropyridine-3,5-dicarbonitrile?
(4R)-2-amino-4-(2-chlorophenyl)-6-(1-cyano-2-iminoethenyl)-3,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 320.74 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-4-(2-chlorophenyl)-6-(1-cyano-2-iminoethenyl)-3,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 7336478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).