2,6-dimethyl-3-nitro-4-(3-nitrophenyl)-5-pyridin-2-yl-1,4-dihydropyridine

C18H16N4O4 — CID 14998972

IUPAC2,6-dimethyl-3-nitro-4-(3-nitrophenyl)-5-pyridin-2-yl-1,4-dihydropyridine
SMILESCC1=C(c2ccccn2)C(c2cccc([N+](=O)[O-])c2)C([N+](=O)[O-])=C(C)N1
InChIInChI=1S/C18H16N4O4/c1-11-16(15-8-3-4-9-19-15)17(18(22(25)26)12(2)20-11)13-6-5-7-14(10-13)21(23)24/h3-10,17,20H,1-2H3
InChIKeyZEBOGPNHLHYQIM-UHFFFAOYSA-N
MW352.35 g/mol
LogP3.62
Rot. Bonds4

About 2,6-dimethyl-3-nitro-4-(3-nitrophenyl)-5-pyridin-2-yl-1,4-dihydropyridine

2,6-dimethyl-3-nitro-4-(3-nitrophenyl)-5-pyridin-2-yl-1,4-dihydropyridine (PubChem CID 14998972) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2,6-dimethyl-3-nitro-4-(3-nitrophenyl)-5-pyridin-2-yl-1,4-dihydropyridine.

Molecular Properties

Compound Name2,6-dimethyl-3-nitro-4-(3-nitrophenyl)-5-pyridin-2-yl-1,4-dihydropyridine
PubChem CID14998972
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC Name2,6-dimethyl-3-nitro-4-(3-nitrophenyl)-5-pyridin-2-yl-1,4-dihydropyridine
SMILESCC1=C(c2ccccn2)C(c2cccc([N+](=O)[O-])c2)C([N+](=O)[O-])=C(C)N1
InChIInChI=1S/C18H16N4O4/c1-11-16(15-8-3-4-9-19-15)17(18(22(25)26)12(2)20-11)13-6-5-7-14(10-13)21(23)24/h3-10,17,20H,1-2H3
InChIKeyZEBOGPNHLHYQIM-UHFFFAOYSA-N
XLogP3.62
TPSA111.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 53.62
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'}

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Related Compounds

[2,6-dimethyl-4-(3-nitrophenyl)-5-pyridin-3-yl-1,4-dihydropyridin-3-yl]-phenylmethanone
CID 14998955
ethyl 2-methyl-4-(3-nitrophenyl)-5-pyrazin-2-yl-6-pyridin-2-yl-1,4-dihydropyridine-3-carboxylate
CID 10718095
bis(3-pyridin-2-ylpropyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 25140294
2-bromoethyl 2,6-dimethyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
CID 5249959
6,10-dimethyl-8-(3-nitrophenyl)-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene
CID 137178190
(4S)-2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-N-pyridin-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 92848380
methyl 2,6-dimethyl-4-(3-nitrophenyl)-5-pyrimidin-5-yl-1,4-dihydropyridine-3-carboxylate
CID 19107365
3-acetyl-2-methyl-4-(3-nitrophenyl)-1,4-dihydroindeno[1,2-b]pyridin-5-one
CID 3628896
tert-butyl 2,6-dimethyl-5-nitro-4-pyridin-2-yl-1,4-dihydropyridine-3-carboxylate
CID 10568484
ethyl 5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
CID 13326628
3-methyl-4-(3-nitrophenyl)-1-phenyl-4,9-dihydropyrazolo[5,4-b][1,8]naphthyridine
CID 137250297
5-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione
CID 143152794

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-nitro-4-(3-nitrophenyl)-5-pyridin-2-yl-1,4-dihydropyridine?
The IUPAC name of 2,6-dimethyl-3-nitro-4-(3-nitrophenyl)-5-pyridin-2-yl-1,4-dihydropyridine (CID 14998972) is 2,6-dimethyl-3-nitro-4-(3-nitrophenyl)-5-pyridin-2-yl-1,4-dihydropyridine.
What is the SMILES notation for 2,6-dimethyl-3-nitro-4-(3-nitrophenyl)-5-pyridin-2-yl-1,4-dihydropyridine?
The canonical SMILES for 2,6-dimethyl-3-nitro-4-(3-nitrophenyl)-5-pyridin-2-yl-1,4-dihydropyridine is CC1=C(c2ccccn2)C(c2cccc([N+](=O)[O-])c2)C([N+](=O)[O-])=C(C)N1.
What is the InChIKey of 2,6-dimethyl-3-nitro-4-(3-nitrophenyl)-5-pyridin-2-yl-1,4-dihydropyridine?
The InChIKey is ZEBOGPNHLHYQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4/c1-11-16(15-8-3-4-9-19-15)17(18(22(25)26)12(2)20-11)13-6-5-7-14(10-13)21(23)24/h3-10,17,20H,1-2H3.
What are the key properties of 2,6-dimethyl-3-nitro-4-(3-nitrophenyl)-5-pyridin-2-yl-1,4-dihydropyridine?
2,6-dimethyl-3-nitro-4-(3-nitrophenyl)-5-pyridin-2-yl-1,4-dihydropyridine has a molecular weight of 352.35 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-nitro-4-(3-nitrophenyl)-5-pyridin-2-yl-1,4-dihydropyridine is sourced from PubChem (CID 14998972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).