methyl (4R)-4-(4-methoxyphenyl)-2-methyl-5-nitro-1,4-dihydropyridine-3-carboxylate

C15H16N2O5 — CID 902303

IUPACmethyl (4R)-4-(4-methoxyphenyl)-2-methyl-5-nitro-1,4-dihydropyridine-3-carboxylate
SMILESCOC(=O)C1=C(C)NC=C([N+](=O)[O-])[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C15H16N2O5/c1-9-13(15(18)22-3)14(12(8-16-9)17(19)20)10-4-6-11(21-2)7-5-10/h4-8,14,16H,1-3H3/t14-/m0/s1
InChIKeyKYGSGSLPOGYTNS-AWEZNQCLSA-N
MW304.30 g/mol
LogP1.95
Rot. Bonds4

About methyl (4R)-4-(4-methoxyphenyl)-2-methyl-5-nitro-1,4-dihydropyridine-3-carboxylate

methyl (4R)-4-(4-methoxyphenyl)-2-methyl-5-nitro-1,4-dihydropyridine-3-carboxylate (PubChem CID 902303) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is methyl (4R)-4-(4-methoxyphenyl)-2-methyl-5-nitro-1,4-dihydropyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-4-(4-methoxyphenyl)-2-methyl-5-nitro-1,4-dihydropyridine-3-carboxylate
PubChem CID902303
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Namemethyl (4R)-4-(4-methoxyphenyl)-2-methyl-5-nitro-1,4-dihydropyridine-3-carboxylate
SMILESCOC(=O)C1=C(C)NC=C([N+](=O)[O-])[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C15H16N2O5/c1-9-13(15(18)22-3)14(12(8-16-9)17(19)20)10-4-6-11(21-2)7-5-10/h4-8,14,16H,1-3H3/t14-/m0/s1
InChIKeyKYGSGSLPOGYTNS-AWEZNQCLSA-N
XLogP1.95
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl (4R)-4-(4-methoxyphenyl)-2-methyl-5-nitro-1,4-dihydropyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[2-(difluoromethoxy)phenyl]-2-methyl-5-nitro-1,4-dihydropyridine-3-carboxylate
CID 71454743
methyl 5-acetyl-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
CID 10640153
methyl (4S,7S)-7-(4-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1118850
methyl (4S,7R)-7-(4-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1118848
5-O-tert-butyl 3-O-methyl 4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 46914021
dimethyl 4-(4-methoxyphenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate
CID 758715
methyl (6S)-3-(4-methoxyphenyl)-4-methyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 9449338
dimethyl 2-(4-methoxyphenyl)-4,6-dimethyl-1,2-dihydropyridine-3,5-dicarboxylate
CID 10616481
methyl 5-(4-methoxyphenyl)-7-methyl-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 4138001
5-O-[(4-methoxyphenyl)methyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 46887809
methyl 4-amino-5-(4-methoxyphenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 23795952
methyl (4R,7R)-7-(4-methoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1235300

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-4-(4-methoxyphenyl)-2-methyl-5-nitro-1,4-dihydropyridine-3-carboxylate?
The IUPAC name of methyl (4R)-4-(4-methoxyphenyl)-2-methyl-5-nitro-1,4-dihydropyridine-3-carboxylate (CID 902303) is methyl (4R)-4-(4-methoxyphenyl)-2-methyl-5-nitro-1,4-dihydropyridine-3-carboxylate.
What is the SMILES notation for methyl (4R)-4-(4-methoxyphenyl)-2-methyl-5-nitro-1,4-dihydropyridine-3-carboxylate?
The canonical SMILES for methyl (4R)-4-(4-methoxyphenyl)-2-methyl-5-nitro-1,4-dihydropyridine-3-carboxylate is COC(=O)C1=C(C)NC=C([N+](=O)[O-])[C@@H]1c1ccc(OC)cc1.
What is the InChIKey of methyl (4R)-4-(4-methoxyphenyl)-2-methyl-5-nitro-1,4-dihydropyridine-3-carboxylate?
The InChIKey is KYGSGSLPOGYTNS-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-9-13(15(18)22-3)14(12(8-16-9)17(19)20)10-4-6-11(21-2)7-5-10/h4-8,14,16H,1-3H3/t14-/m0/s1.
What are the key properties of methyl (4R)-4-(4-methoxyphenyl)-2-methyl-5-nitro-1,4-dihydropyridine-3-carboxylate?
methyl (4R)-4-(4-methoxyphenyl)-2-methyl-5-nitro-1,4-dihydropyridine-3-carboxylate has a molecular weight of 304.30 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-(4-methoxyphenyl)-2-methyl-5-nitro-1,4-dihydropyridine-3-carboxylate is sourced from PubChem (CID 902303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).