5-cyano-4-(2,4-dichlorophenyl)-2,6-dimethyl-3-propan-2-yl-4,5-dihydro-2H-pyridine-3-carboxylic acid

C18H20Cl2N2O2 — CID 91202404

IUPAC5-cyano-4-(2,4-dichlorophenyl)-2,6-dimethyl-3-propan-2-yl-4,5-dihydro-2H-pyridine-3-carboxylic acid
SMILESCC1=NC(C)C(C(=O)O)(C(C)C)C(c2ccc(Cl)cc2Cl)C1C#N
InChIInChI=1S/C18H20Cl2N2O2/c1-9(2)18(17(23)24)11(4)22-10(3)14(8-21)16(18)13-6-5-12(19)7-15(13)20/h5-7,9,11,14,16H,1-4H3,(H,23,24)
InChIKeyQDWIGJVHAMZYEG-UHFFFAOYSA-N
MW367.28 g/mol
LogP4.81
Rot. Bonds3

About 5-cyano-4-(2,4-dichlorophenyl)-2,6-dimethyl-3-propan-2-yl-4,5-dihydro-2H-pyridine-3-carboxylic acid

5-cyano-4-(2,4-dichlorophenyl)-2,6-dimethyl-3-propan-2-yl-4,5-dihydro-2H-pyridine-3-carboxylic acid (PubChem CID 91202404) has the molecular formula C18H20Cl2N2O2 and a molecular weight of 367.28 g/mol. Its IUPAC name is 5-cyano-4-(2,4-dichlorophenyl)-2,6-dimethyl-3-propan-2-yl-4,5-dihydro-2H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyano-4-(2,4-dichlorophenyl)-2,6-dimethyl-3-propan-2-yl-4,5-dihydro-2H-pyridine-3-carboxylic acid
PubChem CID91202404
Molecular FormulaC18H20Cl2N2O2
Molecular Weight367.28 g/mol
Exact Mass366.09
IUPAC Name5-cyano-4-(2,4-dichlorophenyl)-2,6-dimethyl-3-propan-2-yl-4,5-dihydro-2H-pyridine-3-carboxylic acid
SMILESCC1=NC(C)C(C(=O)O)(C(C)C)C(c2ccc(Cl)cc2Cl)C1C#N
InChIInChI=1S/C18H20Cl2N2O2/c1-9(2)18(17(23)24)11(4)22-10(3)14(8-21)16(18)13-6-5-12(19)7-15(13)20/h5-7,9,11,14,16H,1-4H3,(H,23,24)
InChIKeyQDWIGJVHAMZYEG-UHFFFAOYSA-N
XLogP4.81
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyano-4-(2,4-dichlorophenyl)-3-ethyl-6-methyl-2-propan-2-yl-4,5-dihydro-2H-pyridine-3-carboxylic acid
CID 91564708
5-cyano-4-(2,4-dichlorophenyl)-3-ethyl-2-(4-methoxyphenyl)-6-methyl-4,5-dihydro-2H-pyridine-3-carboxylic acid
CID 91319035
4-(4-chloro-2-fluorophenyl)-5-cyano-2-(methoxymethyl)-3,6-dimethyl-4,5-dihydro-2H-pyridine-3-carboxylic acid
CID 90967173
4-(2-chloro-4-fluorophenyl)-5-cyano-2-(2-cyclopropylethyl)-3,6-dimethyl-4,5-dihydro-2H-pyridine-3-carboxylic acid
CID 91319251
(4R)-4-(2,4-dichlorophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carbonitrile
CID 7066001
cis-(2R,3S)-2-benzoyl-3-(2,4-dichlorophenyl)cyclopropane-1,1-dicarbonitrile
CID 11371238
6-(chloromethyl)-4-(2,4-dichlorophenyl)-2-methyl-3,4-dihydropyridine-3,5-dicarboxylic acid
CID 91163257
trans-(1R,2S)-1-amino-2-(2,4-dichlorophenyl)cyclopropane-1-carboxylic acid
CID 95002471
4-(2,4-dichlorophenyl)-2,6-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydropyridine-3-carbonitrile
CID 91233407
4-(2,3-dichlorophenyl)-2-(difluoromethyl)-3,6-dimethyl-5-propan-2-ylpiperidine-3,5-dicarboxylic acid
CID 57325314
4-(2-chloro-4-fluorophenyl)-5-cyano-2-(methoxymethyl)-6-methyl-3-propan-2-yl-2,4-dihydro-1H-pyridine-3-carboxylic acid
CID 69023706
ethyl 5-cyano-4-(2,4-dichlorophenyl)-6-methyl-2-propyl-1,4-dihydropyridine-3-carboxylate
CID 70946345

Frequently Asked Questions

What is the IUPAC name of 5-cyano-4-(2,4-dichlorophenyl)-2,6-dimethyl-3-propan-2-yl-4,5-dihydro-2H-pyridine-3-carboxylic acid?
The IUPAC name of 5-cyano-4-(2,4-dichlorophenyl)-2,6-dimethyl-3-propan-2-yl-4,5-dihydro-2H-pyridine-3-carboxylic acid (CID 91202404) is 5-cyano-4-(2,4-dichlorophenyl)-2,6-dimethyl-3-propan-2-yl-4,5-dihydro-2H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyano-4-(2,4-dichlorophenyl)-2,6-dimethyl-3-propan-2-yl-4,5-dihydro-2H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-cyano-4-(2,4-dichlorophenyl)-2,6-dimethyl-3-propan-2-yl-4,5-dihydro-2H-pyridine-3-carboxylic acid is CC1=NC(C)C(C(=O)O)(C(C)C)C(c2ccc(Cl)cc2Cl)C1C#N.
What is the InChIKey of 5-cyano-4-(2,4-dichlorophenyl)-2,6-dimethyl-3-propan-2-yl-4,5-dihydro-2H-pyridine-3-carboxylic acid?
The InChIKey is QDWIGJVHAMZYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O2/c1-9(2)18(17(23)24)11(4)22-10(3)14(8-21)16(18)13-6-5-12(19)7-15(13)20/h5-7,9,11,14,16H,1-4H3,(H,23,24).
What are the key properties of 5-cyano-4-(2,4-dichlorophenyl)-2,6-dimethyl-3-propan-2-yl-4,5-dihydro-2H-pyridine-3-carboxylic acid?
5-cyano-4-(2,4-dichlorophenyl)-2,6-dimethyl-3-propan-2-yl-4,5-dihydro-2H-pyridine-3-carboxylic acid has a molecular weight of 367.28 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-4-(2,4-dichlorophenyl)-2,6-dimethyl-3-propan-2-yl-4,5-dihydro-2H-pyridine-3-carboxylic acid is sourced from PubChem (CID 91202404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).