5-(3,5-dimethyl-4-pyridinyl)-6-(2-methylphenyl)-3-nitropyridin-2-amine

C19H18N4O2 — CID 59293835

IUPAC5-(3,5-dimethyl-4-pyridinyl)-6-(2-methylphenyl)-3-nitropyridin-2-amine
SMILESCc1ccccc1-c1nc(N)c([N+](=O)[O-])cc1-c1c(C)cncc1C
InChIInChI=1S/C19H18N4O2/c1-11-6-4-5-7-14(11)18-15(8-16(23(24)25)19(20)22-18)17-12(2)9-21-10-13(17)3/h4-10H,1-3H3,(H2,20,22)
InChIKeyGPZRMRGJPSRESD-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.23
Rot. Bonds3

About 5-(3,5-dimethyl-4-pyridinyl)-6-(2-methylphenyl)-3-nitropyridin-2-amine

5-(3,5-dimethyl-4-pyridinyl)-6-(2-methylphenyl)-3-nitropyridin-2-amine (PubChem CID 59293835) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 5-(3,5-dimethyl-4-pyridinyl)-6-(2-methylphenyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name5-(3,5-dimethyl-4-pyridinyl)-6-(2-methylphenyl)-3-nitropyridin-2-amine
PubChem CID59293835
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name5-(3,5-dimethyl-4-pyridinyl)-6-(2-methylphenyl)-3-nitropyridin-2-amine
SMILESCc1ccccc1-c1nc(N)c([N+](=O)[O-])cc1-c1c(C)cncc1C
InChIInChI=1S/C19H18N4O2/c1-11-6-4-5-7-14(11)18-15(8-16(23(24)25)19(20)22-18)17-12(2)9-21-10-13(17)3/h4-10H,1-3H3,(H2,20,22)
InChIKeyGPZRMRGJPSRESD-UHFFFAOYSA-N
XLogP4.23
TPSA94.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.23
H-Bond Donors ≤ 51
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

5-(2-amino-5-chloro-4-pyridinyl)-6-(2-fluorophenyl)-3-nitropyridin-2-amine
CID 66870490
3-methyl-4-(2-nitrophenyl)pyridine
CID 603571
4-methyl-3-(2-methyl-6-nitrophenyl)aniline
CID 100971309
1-methyl-3-nitro-2-phenylbenzene
CID 12733092
6-tert-butyl-3-nitro-5-pyridin-4-ylpyridin-2-amine
CID 20556142
2-(2,6-dimethylphenyl)-4-methyl-5-nitropyridine
CID 67152544
1-(2-methylphenyl)-2,3,4-trinitrobenzene
CID 141268177
2,4-dimethyl-5-(2-nitrophenyl)pyridine
CID 121389109
5-(2-amino-4-pyridinyl)-3-nitro-6-thiophen-2-ylpyridin-2-amine
CID 68897045
2-amino-6-(2-methylphenyl)-4-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5230184
4-methylisoquinoline;2,4,6-trinitrophenol
CID 172885305
4-[8-(3,5-dimethyl-4-pyridinyl)anthracen-1-yl]-3,5-dimethylpyridine
CID 139189777

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-4-pyridinyl)-6-(2-methylphenyl)-3-nitropyridin-2-amine?
The IUPAC name of 5-(3,5-dimethyl-4-pyridinyl)-6-(2-methylphenyl)-3-nitropyridin-2-amine (CID 59293835) is 5-(3,5-dimethyl-4-pyridinyl)-6-(2-methylphenyl)-3-nitropyridin-2-amine.
What is the SMILES notation for 5-(3,5-dimethyl-4-pyridinyl)-6-(2-methylphenyl)-3-nitropyridin-2-amine?
The canonical SMILES for 5-(3,5-dimethyl-4-pyridinyl)-6-(2-methylphenyl)-3-nitropyridin-2-amine is Cc1ccccc1-c1nc(N)c([N+](=O)[O-])cc1-c1c(C)cncc1C.
What is the InChIKey of 5-(3,5-dimethyl-4-pyridinyl)-6-(2-methylphenyl)-3-nitropyridin-2-amine?
The InChIKey is GPZRMRGJPSRESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-11-6-4-5-7-14(11)18-15(8-16(23(24)25)19(20)22-18)17-12(2)9-21-10-13(17)3/h4-10H,1-3H3,(H2,20,22).
What are the key properties of 5-(3,5-dimethyl-4-pyridinyl)-6-(2-methylphenyl)-3-nitropyridin-2-amine?
5-(3,5-dimethyl-4-pyridinyl)-6-(2-methylphenyl)-3-nitropyridin-2-amine has a molecular weight of 334.38 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-4-pyridinyl)-6-(2-methylphenyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 59293835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).