6-(cyclobutylmethylamino)-5-nitropyridine-3-carbonitrile

C11H12N4O2 — CID 103471221

IUPAC6-(cyclobutylmethylamino)-5-nitropyridine-3-carbonitrile
SMILESN#Cc1cnc(NCC2CCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H12N4O2/c12-5-9-4-10(15(16)17)11(14-7-9)13-6-8-2-1-3-8/h4,7-8H,1-3,6H2,(H,13,14)
InChIKeyFBXVCIKCWSXKSN-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.07
Rot. Bonds4

About 6-(cyclobutylmethylamino)-5-nitropyridine-3-carbonitrile

6-(cyclobutylmethylamino)-5-nitropyridine-3-carbonitrile (PubChem CID 103471221) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 6-(cyclobutylmethylamino)-5-nitropyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(cyclobutylmethylamino)-5-nitropyridine-3-carbonitrile
PubChem CID103471221
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name6-(cyclobutylmethylamino)-5-nitropyridine-3-carbonitrile
SMILESN#Cc1cnc(NCC2CCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H12N4O2/c12-5-9-4-10(15(16)17)11(14-7-9)13-6-8-2-1-3-8/h4,7-8H,1-3,6H2,(H,13,14)
InChIKeyFBXVCIKCWSXKSN-UHFFFAOYSA-N
XLogP2.07
TPSA91.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.07
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-nitro-6-(thian-4-ylmethylamino)pyridine-3-carbonitrile
CID 103472056
6-(3-cyclopentylpropylamino)-5-nitropyridine-3-carbonitrile
CID 106013027
5-nitro-6-(oxetan-2-ylmethylamino)pyridine-3-carbonitrile
CID 170428144
5-amino-6-(cyclobutylmethylamino)pyridine-3-carbonitrile
CID 103467531
6-(1,4-dioxan-2-ylmethylamino)-5-nitropyridine-3-carbonitrile
CID 103471345
6-[2-(1-methylpiperidin-4-yl)ethylamino]-5-nitropyridine-3-carbonitrile
CID 103472122
6-(morpholin-3-ylmethylamino)-5-nitropyridine-3-carbonitrile
CID 103549150
N-(cyclopropylmethyl)-3,5-dinitropyridin-2-amine
CID 22181365
6-[(2-methylcyclopentyl)amino]-5-nitropyridine-3-carbonitrile
CID 103471641
6-[(1-cyanocyclopropyl)methylamino]-5-nitropyridine-3-carbonitrile
CID 170427998
6-(cyclohexylmethylamino)-5-nitropyridine-3-carboxylic acid
CID 81438306
6-hydrazinyl-5-nitropyridine-3-carbonitrile
CID 103470111

Frequently Asked Questions

What is the IUPAC name of 6-(cyclobutylmethylamino)-5-nitropyridine-3-carbonitrile?
The IUPAC name of 6-(cyclobutylmethylamino)-5-nitropyridine-3-carbonitrile (CID 103471221) is 6-(cyclobutylmethylamino)-5-nitropyridine-3-carbonitrile.
What is the SMILES notation for 6-(cyclobutylmethylamino)-5-nitropyridine-3-carbonitrile?
The canonical SMILES for 6-(cyclobutylmethylamino)-5-nitropyridine-3-carbonitrile is N#Cc1cnc(NCC2CCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 6-(cyclobutylmethylamino)-5-nitropyridine-3-carbonitrile?
The InChIKey is FBXVCIKCWSXKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c12-5-9-4-10(15(16)17)11(14-7-9)13-6-8-2-1-3-8/h4,7-8H,1-3,6H2,(H,13,14).
What are the key properties of 6-(cyclobutylmethylamino)-5-nitropyridine-3-carbonitrile?
6-(cyclobutylmethylamino)-5-nitropyridine-3-carbonitrile has a molecular weight of 232.24 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclobutylmethylamino)-5-nitropyridine-3-carbonitrile is sourced from PubChem (CID 103471221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).