3-nitro-6-[(4-propylcyclohexyl)amino]pyridine-2-carbonitrile

C15H20N4O2 — CID 103471477

IUPAC3-nitro-6-[(4-propylcyclohexyl)amino]pyridine-2-carbonitrile
SMILESCCCC1CCC(Nc2ccc([N+](=O)[O-])c(C#N)n2)CC1
InChIInChI=1S/C15H20N4O2/c1-2-3-11-4-6-12(7-5-11)17-15-9-8-14(19(20)21)13(10-16)18-15/h8-9,11-12H,2-7H2,1H3,(H,17,18)
InChIKeyDUZBQJSPZVDRSY-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.63
Rot. Bonds5

About 3-nitro-6-[(4-propylcyclohexyl)amino]pyridine-2-carbonitrile

3-nitro-6-[(4-propylcyclohexyl)amino]pyridine-2-carbonitrile (PubChem CID 103471477) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-nitro-6-[(4-propylcyclohexyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-nitro-6-[(4-propylcyclohexyl)amino]pyridine-2-carbonitrile
PubChem CID103471477
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-nitro-6-[(4-propylcyclohexyl)amino]pyridine-2-carbonitrile
SMILESCCCC1CCC(Nc2ccc([N+](=O)[O-])c(C#N)n2)CC1
InChIInChI=1S/C15H20N4O2/c1-2-3-11-4-6-12(7-5-11)17-15-9-8-14(19(20)21)13(10-16)18-15/h8-9,11-12H,2-7H2,1H3,(H,17,18)
InChIKeyDUZBQJSPZVDRSY-UHFFFAOYSA-N
XLogP3.63
TPSA91.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.63
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'}

Analyze 3-nitro-6-[(4-propylcyclohexyl)amino]pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(4-methylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile
CID 103471198
6-[(3-methoxycyclobutyl)amino]-3-nitropyridine-2-carbonitrile
CID 103578096
6-[(2-ethylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile
CID 103471422
6-[(4-ethylcyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile
CID 103471316
6-(1-cyclopropylbutan-2-ylamino)-3-nitropyridine-2-carbonitrile
CID 103471695
6-[(3,3-dimethylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile
CID 103471885
6-[(1,1-dioxothian-3-yl)amino]-3-nitropyridine-2-carbonitrile
CID 103471684
4-methyl-5-nitro-N-(4-propylcyclohexyl)pyridin-2-amine
CID 79173963
6-[3-(cyclopropylamino)propylamino]-3-nitropyridine-2-carbonitrile
CID 103472204
3-nitro-6-[(2-propan-2-ylcyclohexyl)amino]pyridine-2-carbonitrile
CID 103471906
6-[(2,3-dimethylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile
CID 103471178
6-[(4-propylcyclohexyl)amino]pyridine-3-carbonitrile
CID 61371820

Frequently Asked Questions

What is the IUPAC name of 3-nitro-6-[(4-propylcyclohexyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 3-nitro-6-[(4-propylcyclohexyl)amino]pyridine-2-carbonitrile (CID 103471477) is 3-nitro-6-[(4-propylcyclohexyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-nitro-6-[(4-propylcyclohexyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 3-nitro-6-[(4-propylcyclohexyl)amino]pyridine-2-carbonitrile is CCCC1CCC(Nc2ccc([N+](=O)[O-])c(C#N)n2)CC1.
What is the InChIKey of 3-nitro-6-[(4-propylcyclohexyl)amino]pyridine-2-carbonitrile?
The InChIKey is DUZBQJSPZVDRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-2-3-11-4-6-12(7-5-11)17-15-9-8-14(19(20)21)13(10-16)18-15/h8-9,11-12H,2-7H2,1H3,(H,17,18).
What are the key properties of 3-nitro-6-[(4-propylcyclohexyl)amino]pyridine-2-carbonitrile?
3-nitro-6-[(4-propylcyclohexyl)amino]pyridine-2-carbonitrile has a molecular weight of 288.35 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-6-[(4-propylcyclohexyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 103471477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).