[2-cyano-2-[(4R)-5-cyano-3-ethoxycarbonyl-2-methyl-4-phenyl-3,4-dihydropyridin-6-yl]ethenylidene]azanide

C19H15N4O2- — CID 7308437

IUPAC[2-cyano-2-[(4R)-5-cyano-3-ethoxycarbonyl-2-methyl-4-phenyl-3,4-dihydropyridin-6-yl]ethenylidene]azanide
SMILESCCOC(=O)C1C(C)=NC(C(=C=[N-])C#N)=C(C#N)[C@H]1c1ccccc1
InChIInChI=1S/C19H15N4O2/c1-3-25-19(24)16-12(2)23-18(14(9-20)10-21)15(11-22)17(16)13-7-5-4-6-8-13/h4-8,16-17H,3H2,1-2H3/q-1/t16?,17-/m1/s1
InChIKeyRYCPOHUJEZYIRV-ZYMOGRSISA-N
MW331.36 g/mol
LogP2.89
Rot. Bonds4

About [2-cyano-2-[(4R)-5-cyano-3-ethoxycarbonyl-2-methyl-4-phenyl-3,4-dihydropyridin-6-yl]ethenylidene]azanide

[2-cyano-2-[(4R)-5-cyano-3-ethoxycarbonyl-2-methyl-4-phenyl-3,4-dihydropyridin-6-yl]ethenylidene]azanide (PubChem CID 7308437) has the molecular formula C19H15N4O2- and a molecular weight of 331.36 g/mol. Its IUPAC name is [2-cyano-2-[(4R)-5-cyano-3-ethoxycarbonyl-2-methyl-4-phenyl-3,4-dihydropyridin-6-yl]ethenylidene]azanide.

Molecular Properties

Compound Name[2-cyano-2-[(4R)-5-cyano-3-ethoxycarbonyl-2-methyl-4-phenyl-3,4-dihydropyridin-6-yl]ethenylidene]azanide
PubChem CID7308437
Molecular FormulaC19H15N4O2-
Molecular Weight331.36 g/mol
Exact Mass331.12
IUPAC Name[2-cyano-2-[(4R)-5-cyano-3-ethoxycarbonyl-2-methyl-4-phenyl-3,4-dihydropyridin-6-yl]ethenylidene]azanide
SMILESCCOC(=O)C1C(C)=NC(C(=C=[N-])C#N)=C(C#N)[C@H]1c1ccccc1
InChIInChI=1S/C19H15N4O2/c1-3-25-19(24)16-12(2)23-18(14(9-20)10-21)15(11-22)17(16)13-7-5-4-6-8-13/h4-8,16-17H,3H2,1-2H3/q-1/t16?,17-/m1/s1
InChIKeyRYCPOHUJEZYIRV-ZYMOGRSISA-N
XLogP2.89
TPSA108.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

ethyl (4S)-4-(3-chlorophenyl)-5-cyano-2-methyl-6-sulfanyl-3,4-dihydropyridine-3-carboxylate
CID 7736585
ethyl (4S)-2-methyl-5-oxo-4-phenyl-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 6925639
ethyl 5-(2-cyanophenyl)-3,6-dimethyl-4,5-dihydropyridazine-4-carboxylate
CID 57267274
prop-2-enyl (4R)-5-cyano-2-methyl-4-pyridin-3-yl-6-sulfanyl-3,4-dihydropyridine-3-carboxylate
CID 7336573
ethyl 6-(3-cyanophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 91540393
ethyl 5-cyano-2-methyl-6-prop-2-ynylsulfanyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxylate
CID 78444362
ethyl 11-methyl-7-oxo-5,8,13-triphenyl-3,4,6,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10-tetraene-12-carboxylate
CID 123333770
ethyl (4S)-5-cyano-2-methyl-6-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxylate
CID 7072290
trans-ethyl (1R,3S)-2,2-dicyano-3-phenylcyclopropane-1-carboxylate
CID 102070916
ethyl 6-(4-cyanophenyl)-4-methyl-2-sulfanylidene-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 91187960
ethyl (2E,3R,4S)-6-amino-5-cyano-2-(2-ethoxy-2-oxoethylidene)-4-(2-methylphenyl)-1-phenyl-3,4-dihydropyridine-3-carboxylate
CID 70676566
ethyl 2-ethyl-8-methyl-5-oxo-4-phenyl-4,6-dihydro-3H-1,6-naphthyridine-3-carboxylate
CID 54263903

Frequently Asked Questions

What is the IUPAC name of [2-cyano-2-[(4R)-5-cyano-3-ethoxycarbonyl-2-methyl-4-phenyl-3,4-dihydropyridin-6-yl]ethenylidene]azanide?
The IUPAC name of [2-cyano-2-[(4R)-5-cyano-3-ethoxycarbonyl-2-methyl-4-phenyl-3,4-dihydropyridin-6-yl]ethenylidene]azanide (CID 7308437) is [2-cyano-2-[(4R)-5-cyano-3-ethoxycarbonyl-2-methyl-4-phenyl-3,4-dihydropyridin-6-yl]ethenylidene]azanide.
What is the SMILES notation for [2-cyano-2-[(4R)-5-cyano-3-ethoxycarbonyl-2-methyl-4-phenyl-3,4-dihydropyridin-6-yl]ethenylidene]azanide?
The canonical SMILES for [2-cyano-2-[(4R)-5-cyano-3-ethoxycarbonyl-2-methyl-4-phenyl-3,4-dihydropyridin-6-yl]ethenylidene]azanide is CCOC(=O)C1C(C)=NC(C(=C=[N-])C#N)=C(C#N)[C@H]1c1ccccc1.
What is the InChIKey of [2-cyano-2-[(4R)-5-cyano-3-ethoxycarbonyl-2-methyl-4-phenyl-3,4-dihydropyridin-6-yl]ethenylidene]azanide?
The InChIKey is RYCPOHUJEZYIRV-ZYMOGRSISA-N. The full InChI is InChI=1S/C19H15N4O2/c1-3-25-19(24)16-12(2)23-18(14(9-20)10-21)15(11-22)17(16)13-7-5-4-6-8-13/h4-8,16-17H,3H2,1-2H3/q-1/t16?,17-/m1/s1.
What are the key properties of [2-cyano-2-[(4R)-5-cyano-3-ethoxycarbonyl-2-methyl-4-phenyl-3,4-dihydropyridin-6-yl]ethenylidene]azanide?
[2-cyano-2-[(4R)-5-cyano-3-ethoxycarbonyl-2-methyl-4-phenyl-3,4-dihydropyridin-6-yl]ethenylidene]azanide has a molecular weight of 331.36 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyano-2-[(4R)-5-cyano-3-ethoxycarbonyl-2-methyl-4-phenyl-3,4-dihydropyridin-6-yl]ethenylidene]azanide is sourced from PubChem (CID 7308437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).