(4S)-2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarbohydrazide

C15H19N5O2 — CID 7111817

IUPAC(4S)-2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarbohydrazide
SMILESCC1=NC(C)=C(C(=O)NN)[C@H](c2ccccc2)C1C(=O)NN
InChIInChI=1S/C15H19N5O2/c1-8-11(14(21)19-16)13(10-6-4-3-5-7-10)12(9(2)18-8)15(22)20-17/h3-7,11,13H,16-17H2,1-2H3,(H,19,21)(H,20,22)/t11?,13-/m1/s1
InChIKeyZXSVWXYJNPFTST-GLGOKHISSA-N
MW301.35 g/mol
LogP0.11
Rot. Bonds3

About (4S)-2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarbohydrazide

(4S)-2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarbohydrazide (PubChem CID 7111817) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is (4S)-2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarbohydrazide.

Molecular Properties

Compound Name(4S)-2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarbohydrazide
PubChem CID7111817
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name(4S)-2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarbohydrazide
SMILESCC1=NC(C)=C(C(=O)NN)[C@H](c2ccccc2)C1C(=O)NN
InChIInChI=1S/C15H19N5O2/c1-8-11(14(21)19-16)13(10-6-4-3-5-7-10)12(9(2)18-8)15(22)20-17/h3-7,11,13H,16-17H2,1-2H3,(H,19,21)(H,20,22)/t11?,13-/m1/s1
InChIKeyZXSVWXYJNPFTST-GLGOKHISSA-N
XLogP0.11
TPSA122.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(4S)-5-acetyl-2,6-dimethyl-4-phenyl-3,4-dihydropyridin-3-yl]ethanone
CID 6940347
methyl 2,6-dimethyl-5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]carbamoyl]-4-phenyl-3,4-dihydropyridine-3-carboxylate
CID 54113969
bis(3-methylbutyl) (4R)-2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarboxylate
CID 7452163
3-N,2,6-trimethyl-4-(4-nitrophenyl)-5-N-[3-(4-phenylpiperidin-1-yl)propyl]-3,4-dihydropyridine-3,5-dicarboxamide
CID 91930889
4-(3-bromophenyl)-2,6-dimethyl-5-(3-phenylprop-2-enylcarbamoyl)-3,4-dihydropyridine-3-carboxylic acid
CID 90687930
5-(2-methoxyethoxycarbonyl)-4-(3-methoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid
CID 54176681
diethyl 4-(3-bromophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
CID 78478429
2,6-dimethyl-4-[3-(methylamino)phenyl]-3,4-dihydropyridine-3,5-dicarboxylic acid
CID 54130016
diethyl (4S)-4-(4-methoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
CID 7073063
methyl 2,6-dimethyl-3-nitro-4-phenyl-3,4-dihydropyridine-5-carboxylate
CID 90988130
bis(2-methoxyethyl) 2,6-dimethyl-4-pyridin-3-yl-3,4-dihydropyridine-3,5-dicarboxylate
CID 57306082
(4S)-3-acetyl-4-(4-fluorophenyl)-2,6-dimethyl-3,4-dihydropyridine-5-carboxylic acid
CID 7075636

Frequently Asked Questions

What is the IUPAC name of (4S)-2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarbohydrazide?
The IUPAC name of (4S)-2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarbohydrazide (CID 7111817) is (4S)-2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarbohydrazide.
What is the SMILES notation for (4S)-2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarbohydrazide?
The canonical SMILES for (4S)-2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarbohydrazide is CC1=NC(C)=C(C(=O)NN)[C@H](c2ccccc2)C1C(=O)NN.
What is the InChIKey of (4S)-2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarbohydrazide?
The InChIKey is ZXSVWXYJNPFTST-GLGOKHISSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-8-11(14(21)19-16)13(10-6-4-3-5-7-10)12(9(2)18-8)15(22)20-17/h3-7,11,13H,16-17H2,1-2H3,(H,19,21)(H,20,22)/t11?,13-/m1/s1.
What are the key properties of (4S)-2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarbohydrazide?
(4S)-2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarbohydrazide has a molecular weight of 301.35 g/mol, XLogP of 0.11, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarbohydrazide is sourced from PubChem (CID 7111817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).