4-methyl-5-nitro-N-(4-propylcyclohexyl)pyridin-2-amine

C15H23N3O2 — CID 79173963

IUPAC4-methyl-5-nitro-N-(4-propylcyclohexyl)pyridin-2-amine
SMILESCCCC1CCC(Nc2cc(C)c([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C15H23N3O2/c1-3-4-12-5-7-13(8-6-12)17-15-9-11(2)14(10-16-15)18(19)20/h9-10,12-13H,3-8H2,1-2H3,(H,16,17)
InChIKeyYKQZHZXHSDUDOG-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.07
Rot. Bonds5

About 4-methyl-5-nitro-N-(4-propylcyclohexyl)pyridin-2-amine

4-methyl-5-nitro-N-(4-propylcyclohexyl)pyridin-2-amine (PubChem CID 79173963) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-methyl-5-nitro-N-(4-propylcyclohexyl)pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-5-nitro-N-(4-propylcyclohexyl)pyridin-2-amine
PubChem CID79173963
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-methyl-5-nitro-N-(4-propylcyclohexyl)pyridin-2-amine
SMILESCCCC1CCC(Nc2cc(C)c([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C15H23N3O2/c1-3-4-12-5-7-13(8-6-12)17-15-9-11(2)14(10-16-15)18(19)20/h9-10,12-13H,3-8H2,1-2H3,(H,16,17)
InChIKeyYKQZHZXHSDUDOG-UHFFFAOYSA-N
XLogP4.07
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
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

2,5-dimethyl-4-nitro-N-(4-propylcyclohexyl)aniline
CID 103145164
N-cyclohex-3-en-1-yl-4-methyl-5-nitropyridin-2-amine
CID 79177090
N-(1-cyclopropylbutan-2-yl)-4-methyl-5-nitropyridin-2-amine
CID 79175938
9-methyl-N-(4-methyl-5-nitro-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 79165263
4-methyl-5-nitro-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-2-amine
CID 133343060
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-methyl-5-nitropyridin-2-amine
CID 133343778
(5R)-5-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-2-one
CID 95904705
N-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methyl-5-nitropyridin-2-amine
CID 133340478
N-(1-ethylpiperidin-4-yl)-5-methyl-4-nitropyridin-2-amine
CID 83268812
3-nitro-6-[(4-propylcyclohexyl)amino]pyridine-2-carbonitrile
CID 103471477
4-bromo-2-nitro-N-(4-propylcyclohexyl)aniline
CID 43746554
3-methoxy-1-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]propan-1-one
CID 133376904

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-nitro-N-(4-propylcyclohexyl)pyridin-2-amine?
The IUPAC name of 4-methyl-5-nitro-N-(4-propylcyclohexyl)pyridin-2-amine (CID 79173963) is 4-methyl-5-nitro-N-(4-propylcyclohexyl)pyridin-2-amine.
What is the SMILES notation for 4-methyl-5-nitro-N-(4-propylcyclohexyl)pyridin-2-amine?
The canonical SMILES for 4-methyl-5-nitro-N-(4-propylcyclohexyl)pyridin-2-amine is CCCC1CCC(Nc2cc(C)c([N+](=O)[O-])cn2)CC1.
What is the InChIKey of 4-methyl-5-nitro-N-(4-propylcyclohexyl)pyridin-2-amine?
The InChIKey is YKQZHZXHSDUDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-4-12-5-7-13(8-6-12)17-15-9-11(2)14(10-16-15)18(19)20/h9-10,12-13H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-5-nitro-N-(4-propylcyclohexyl)pyridin-2-amine?
4-methyl-5-nitro-N-(4-propylcyclohexyl)pyridin-2-amine has a molecular weight of 277.37 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-nitro-N-(4-propylcyclohexyl)pyridin-2-amine is sourced from PubChem (CID 79173963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).