2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide

C15H16N4O4 — CID 4111258

IUPAC2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide
SMILESCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(N)=O)=C(C)N1
InChIInChI=1S/C15H16N4O4/c1-7-11(14(16)20)13(12(15(17)21)8(2)18-7)9-3-5-10(6-4-9)19(22)23/h3-6,13,18H,1-2H3,(H2,16,20)(H2,17,21)
InChIKeyVRMZVFBIYGGBMZ-UHFFFAOYSA-N
MW316.32 g/mol
LogP0.80
Rot. Bonds4

About 2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide

2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide (PubChem CID 4111258) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is 2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide
PubChem CID4111258
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC Name2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide
SMILESCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(N)=O)=C(C)N1
InChIInChI=1S/C15H16N4O4/c1-7-11(14(16)20)13(12(15(17)21)8(2)18-7)9-3-5-10(6-4-9)19(22)23/h3-6,13,18H,1-2H3,(H2,16,20)(H2,17,21)
InChIKeyVRMZVFBIYGGBMZ-UHFFFAOYSA-N
XLogP0.80
TPSA141.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-acetyl-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
CID 10640153
4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide
CID 4067100
2,6-dimethyl-4-(4-nitrophenyl)-3-N,5-N-bis(1,3-thiazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide
CID 72697999
methyl (5R)-7-methyl-5-(4-nitrophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 1181166
5-N-[3-[4-(dimethylcarbamoyl)-4-phenylpiperidin-1-yl]propyl]-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide
CID 10698608
3-O-(2-methoxyethyl) 5-O-[(E)-3-phenylprop-2-enyl] 2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 155366648
diethyl 2-[(2-ethoxy-2-oxoethyl)sulfanylmethyl]-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 70100635
[4-ethyl-2,6-dimethyl-5-(4-nitrobenzoyl)-1,4-dihydropyridin-3-yl]-(4-nitrophenyl)methanone
CID 101241752
2-ethyl-6-methyl-3-N-[3-[4-(4-methylphenyl)-4-phenylpiperidin-1-yl]propyl]-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide
CID 20642224
1-[2-hydrazinyl-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimidin-5-yl]ethanone
CID 170454058
3-O-methyl 5-O-(3-piperidin-1-ylpropyl) 2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 23004128
prop-2-enyl 7-methyl-5-(4-nitrophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 23771128

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide?
The IUPAC name of 2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide (CID 4111258) is 2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide.
What is the SMILES notation for 2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide?
The canonical SMILES for 2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide is CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(N)=O)=C(C)N1.
What is the InChIKey of 2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide?
The InChIKey is VRMZVFBIYGGBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c1-7-11(14(16)20)13(12(15(17)21)8(2)18-7)9-3-5-10(6-4-9)19(22)23/h3-6,13,18H,1-2H3,(H2,16,20)(H2,17,21).
What are the key properties of 2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide?
2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide has a molecular weight of 316.32 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide is sourced from PubChem (CID 4111258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).