6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-amine

C12H13N3O2 — CID 163895167

IUPAC6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-amine
SMILESCC1=CC(c2ccccc2[N+](=O)[O-])C=C(N)N1
InChIInChI=1S/C12H13N3O2/c1-8-6-9(7-12(13)14-8)10-4-2-3-5-11(10)15(16)17/h2-7,9,14H,13H2,1H3
InChIKeyQEZLYHDDTSZDHU-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.99
Rot. Bonds2

About 6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-amine

6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-amine (PubChem CID 163895167) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-amine.

Molecular Properties

Compound Name6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-amine
PubChem CID163895167
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-amine
SMILESCC1=CC(c2ccccc2[N+](=O)[O-])C=C(N)N1
InChIInChI=1S/C12H13N3O2/c1-8-6-9(7-12(13)14-8)10-4-2-3-5-11(10)15(16)17/h2-7,9,14H,13H2,1H3
InChIKeyQEZLYHDDTSZDHU-UHFFFAOYSA-N
XLogP1.99
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-butyl-2,6-dimethyl-4-(2-nitrophenyl)-4H-pyridine
CID 142688924
2,2-dimethyl-3-(2-nitrophenyl)cyclobutan-1-amine
CID 81414944
(3S)-3-(2-nitrophenyl)pyrrolidine
CID 95436908
5,7-dimethyl-2-(2-nitrophenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
CID 829298
2-methyl-4-(2-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile;hydrate
CID 51056763
5-(2-nitrophenyl)-1,3-oxazolidine-2,4-dione;hydrochloride
CID 162329662
methyl 2-amino-6-methyl-5-methylsulfonyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
CID 70610503
diethyl 4-acetyl-5-(2-nitrophenyl)pyrrolidine-2,2-dicarboxylate
CID 91200233
2-nitroaniline;dihydrochloride
CID 69408891
2-nitroaniline;sulfane
CID 175331446
dimethyl 2-((18F)fluoromethyl)-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 177410356
2-methoxyethyl 6-methyl-4-(2-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 21235412

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-amine?
The IUPAC name of 6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-amine (CID 163895167) is 6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-amine.
What is the SMILES notation for 6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-amine?
The canonical SMILES for 6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-amine is CC1=CC(c2ccccc2[N+](=O)[O-])C=C(N)N1.
What is the InChIKey of 6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-amine?
The InChIKey is QEZLYHDDTSZDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-6-9(7-12(13)14-8)10-4-2-3-5-11(10)15(16)17/h2-7,9,14H,13H2,1H3.
What are the key properties of 6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-amine?
6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-amine has a molecular weight of 231.25 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-amine is sourced from PubChem (CID 163895167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).