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

C11H12N4O3 — CID 103578096

IUPAC6-[(3-methoxycyclobutyl)amino]-3-nitropyridine-2-carbonitrile
SMILESCOC1CC(Nc2ccc([N+](=O)[O-])c(C#N)n2)C1
InChIInChI=1S/C11H12N4O3/c1-18-8-4-7(5-8)13-11-3-2-10(15(16)17)9(6-12)14-11/h2-3,7-8H,4-5H2,1H3,(H,13,14)
InChIKeyUZRZAOKMVLBEIB-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.45
Rot. Bonds4

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

6-[(3-methoxycyclobutyl)amino]-3-nitropyridine-2-carbonitrile (PubChem CID 103578096) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 6-[(3-methoxycyclobutyl)amino]-3-nitropyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(3-methoxycyclobutyl)amino]-3-nitropyridine-2-carbonitrile
PubChem CID103578096
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name6-[(3-methoxycyclobutyl)amino]-3-nitropyridine-2-carbonitrile
SMILESCOC1CC(Nc2ccc([N+](=O)[O-])c(C#N)n2)C1
InChIInChI=1S/C11H12N4O3/c1-18-8-4-7(5-8)13-11-3-2-10(15(16)17)9(6-12)14-11/h2-3,7-8H,4-5H2,1H3,(H,13,14)
InChIKeyUZRZAOKMVLBEIB-UHFFFAOYSA-N
XLogP1.45
TPSA101.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
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-[(4-methylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile
CID 103471198
3-nitro-6-[(4-propylcyclohexyl)amino]pyridine-2-carbonitrile
CID 103471477
N-(3-methoxycyclopentyl)-6-methyl-5-nitropyridin-2-amine
CID 103082006
6-[(1,1-dioxothian-3-yl)amino]-3-nitropyridine-2-carbonitrile
CID 103471684
6-[(3,3-dimethylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile
CID 103471885
N-(3-methoxycyclobutyl)-2-nitroaniline
CID 104576705
6-[(2,3-dimethylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile
CID 103471178
3-nitro-6-[(2-propan-2-ylcyclohexyl)amino]pyridine-2-carbonitrile
CID 103471906
6-[(2-aminocyclohexyl)amino]-3-nitropyridine-2-carbonitrile
CID 103472216
6-[(2-ethylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile
CID 103471422
6-N-(3-methoxycyclobutyl)-4-nitropyridine-2,6-diamine
CID 114121084
6-[(4-ethylcyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile
CID 103471316

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxycyclobutyl)amino]-3-nitropyridine-2-carbonitrile?
The IUPAC name of 6-[(3-methoxycyclobutyl)amino]-3-nitropyridine-2-carbonitrile (CID 103578096) is 6-[(3-methoxycyclobutyl)amino]-3-nitropyridine-2-carbonitrile.
What is the SMILES notation for 6-[(3-methoxycyclobutyl)amino]-3-nitropyridine-2-carbonitrile?
The canonical SMILES for 6-[(3-methoxycyclobutyl)amino]-3-nitropyridine-2-carbonitrile is COC1CC(Nc2ccc([N+](=O)[O-])c(C#N)n2)C1.
What is the InChIKey of 6-[(3-methoxycyclobutyl)amino]-3-nitropyridine-2-carbonitrile?
The InChIKey is UZRZAOKMVLBEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-18-8-4-7(5-8)13-11-3-2-10(15(16)17)9(6-12)14-11/h2-3,7-8H,4-5H2,1H3,(H,13,14).
What are the key properties of 6-[(3-methoxycyclobutyl)amino]-3-nitropyridine-2-carbonitrile?
6-[(3-methoxycyclobutyl)amino]-3-nitropyridine-2-carbonitrile has a molecular weight of 248.24 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methoxycyclobutyl)amino]-3-nitropyridine-2-carbonitrile is sourced from PubChem (CID 103578096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).