6-[(2-aminocyclohexyl)amino]-3-nitropyridine-2-carbonitrile

C12H15N5O2 — CID 103472216

IUPAC6-[(2-aminocyclohexyl)amino]-3-nitropyridine-2-carbonitrile
SMILESN#Cc1nc(NC2CCCCC2N)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H15N5O2/c13-7-10-11(17(18)19)5-6-12(16-10)15-9-4-2-1-3-8(9)14/h5-6,8-9H,1-4,14H2,(H,15,16)
InChIKeyHXZMWKZCCNMITR-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.54
Rot. Bonds3

About 6-[(2-aminocyclohexyl)amino]-3-nitropyridine-2-carbonitrile

6-[(2-aminocyclohexyl)amino]-3-nitropyridine-2-carbonitrile (PubChem CID 103472216) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 6-[(2-aminocyclohexyl)amino]-3-nitropyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(2-aminocyclohexyl)amino]-3-nitropyridine-2-carbonitrile
PubChem CID103472216
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name6-[(2-aminocyclohexyl)amino]-3-nitropyridine-2-carbonitrile
SMILESN#Cc1nc(NC2CCCCC2N)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H15N5O2/c13-7-10-11(17(18)19)5-6-12(16-10)15-9-4-2-1-3-8(9)14/h5-6,8-9H,1-4,14H2,(H,15,16)
InChIKeyHXZMWKZCCNMITR-UHFFFAOYSA-N
XLogP1.54
TPSA117.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

6-[(2-ethylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile
CID 103471422
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-methylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile
CID 103471198
6-[(1,1-dioxothian-3-yl)amino]-3-nitropyridine-2-carbonitrile
CID 103471684
6-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)amino]-3-nitropyridine-2-carbonitrile
CID 103472451
6-[(3,3-dimethylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile
CID 103471885
6-[(3-methoxycyclobutyl)amino]-3-nitropyridine-2-carbonitrile
CID 103578096
3-nitro-6-[(4-propylcyclohexyl)amino]pyridine-2-carbonitrile
CID 103471477
2-N-(5-methyl-4-nitro-2-pyridinyl)cyclohexane-1,2-diamine
CID 83271432
3-nitro-6-(oxan-2-ylmethylamino)pyridine-2-carbonitrile
CID 103471500
cis-(1R,2S)-2-N-(2,4-dinitrophenyl)cyclohexane-1,2-diamine
CID 40507750

Frequently Asked Questions

What is the IUPAC name of 6-[(2-aminocyclohexyl)amino]-3-nitropyridine-2-carbonitrile?
The IUPAC name of 6-[(2-aminocyclohexyl)amino]-3-nitropyridine-2-carbonitrile (CID 103472216) is 6-[(2-aminocyclohexyl)amino]-3-nitropyridine-2-carbonitrile.
What is the SMILES notation for 6-[(2-aminocyclohexyl)amino]-3-nitropyridine-2-carbonitrile?
The canonical SMILES for 6-[(2-aminocyclohexyl)amino]-3-nitropyridine-2-carbonitrile is N#Cc1nc(NC2CCCCC2N)ccc1[N+](=O)[O-].
What is the InChIKey of 6-[(2-aminocyclohexyl)amino]-3-nitropyridine-2-carbonitrile?
The InChIKey is HXZMWKZCCNMITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c13-7-10-11(17(18)19)5-6-12(16-10)15-9-4-2-1-3-8(9)14/h5-6,8-9H,1-4,14H2,(H,15,16).
What are the key properties of 6-[(2-aminocyclohexyl)amino]-3-nitropyridine-2-carbonitrile?
6-[(2-aminocyclohexyl)amino]-3-nitropyridine-2-carbonitrile has a molecular weight of 261.28 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-aminocyclohexyl)amino]-3-nitropyridine-2-carbonitrile is sourced from PubChem (CID 103472216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).