1-methyl-N-(4-nitrophenyl)-4-phenyl-2,3-dihydropyridin-6-imine

C18H17N3O2 — CID 15311172

IUPAC1-methyl-N-(4-nitrophenyl)-4-phenyl-2,3-dihydropyridin-6-imine
SMILESCN1CCC(c2ccccc2)=C/C1=N\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H17N3O2/c1-20-12-11-15(14-5-3-2-4-6-14)13-18(20)19-16-7-9-17(10-8-16)21(22)23/h2-10,13H,11-12H2,1H3/b19-18+
InChIKeyCTNDXPTXCLLMBV-VHEBQXMUSA-N
MW307.35 g/mol
LogP4.04
Rot. Bonds3

About 1-methyl-N-(4-nitrophenyl)-4-phenyl-2,3-dihydropyridin-6-imine

1-methyl-N-(4-nitrophenyl)-4-phenyl-2,3-dihydropyridin-6-imine (PubChem CID 15311172) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-methyl-N-(4-nitrophenyl)-4-phenyl-2,3-dihydropyridin-6-imine.

Molecular Properties

Compound Name1-methyl-N-(4-nitrophenyl)-4-phenyl-2,3-dihydropyridin-6-imine
PubChem CID15311172
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name1-methyl-N-(4-nitrophenyl)-4-phenyl-2,3-dihydropyridin-6-imine
SMILESCN1CCC(c2ccccc2)=C/C1=N\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H17N3O2/c1-20-12-11-15(14-5-3-2-4-6-14)13-18(20)19-16-7-9-17(10-8-16)21(22)23/h2-10,13H,11-12H2,1H3/b19-18+
InChIKeyCTNDXPTXCLLMBV-VHEBQXMUSA-N
XLogP4.04
TPSA58.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-(4-nitrophenyl)-2H-indol-3-imine
CID 132576850
(4-nitrophenyl)-phenyldiazene
CID 17222
(1-methyl-2,3-dihydroindol-5-yl)-(4-nitrophenyl)diazene
CID 101076082
1-methyl-5-nitro-7-phenyl-2,3-dihydroindole
CID 163907775
formaldehyde;bis(1-nitro-4-phenylbenzene)
CID 174842779
bis(1-nitro-4-phenylbenzene);sulfur dioxide
CID 174751271
5-N-methyl-3-N-(4-nitrophenyl)-4-phenyl-1,2,4-dithiazolidine-3,5-diimine
CID 14490099
1-(4-nitrophenyl)sulfonyl-5-phenyl-3,6-dihydro-2H-pyridine
CID 101053011
(4-nitrophenyl)imino-phenyl-dipyrrolidin-1-yl-λ5-phosphane
CID 5036219
1-[(1R)-1-(3-nitrophenyl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine
CID 8754233
nitrobenzene;sulfanol
CID 174553859
arsane;nitrobenzene
CID 174282180

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-nitrophenyl)-4-phenyl-2,3-dihydropyridin-6-imine?
The IUPAC name of 1-methyl-N-(4-nitrophenyl)-4-phenyl-2,3-dihydropyridin-6-imine (CID 15311172) is 1-methyl-N-(4-nitrophenyl)-4-phenyl-2,3-dihydropyridin-6-imine.
What is the SMILES notation for 1-methyl-N-(4-nitrophenyl)-4-phenyl-2,3-dihydropyridin-6-imine?
The canonical SMILES for 1-methyl-N-(4-nitrophenyl)-4-phenyl-2,3-dihydropyridin-6-imine is CN1CCC(c2ccccc2)=C/C1=N\c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-methyl-N-(4-nitrophenyl)-4-phenyl-2,3-dihydropyridin-6-imine?
The InChIKey is CTNDXPTXCLLMBV-VHEBQXMUSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-20-12-11-15(14-5-3-2-4-6-14)13-18(20)19-16-7-9-17(10-8-16)21(22)23/h2-10,13H,11-12H2,1H3/b19-18+.
What are the key properties of 1-methyl-N-(4-nitrophenyl)-4-phenyl-2,3-dihydropyridin-6-imine?
1-methyl-N-(4-nitrophenyl)-4-phenyl-2,3-dihydropyridin-6-imine has a molecular weight of 307.35 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-nitrophenyl)-4-phenyl-2,3-dihydropyridin-6-imine is sourced from PubChem (CID 15311172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).