N-cyclobutyl-6-ethynyl-3-nitropyridin-2-amine

C11H11N3O2 — CID 90426708

IUPACN-cyclobutyl-6-ethynyl-3-nitropyridin-2-amine
SMILESC#Cc1ccc([N+](=O)[O-])c(NC2CCC2)n1
InChIInChI=1S/C11H11N3O2/c1-2-8-6-7-10(14(15)16)11(12-8)13-9-4-3-5-9/h1,6-7,9H,3-5H2,(H,12,13)
InChIKeyRGJBNWMSINUCON-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.94
Rot. Bonds3

About N-cyclobutyl-6-ethynyl-3-nitropyridin-2-amine

N-cyclobutyl-6-ethynyl-3-nitropyridin-2-amine (PubChem CID 90426708) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is N-cyclobutyl-6-ethynyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-cyclobutyl-6-ethynyl-3-nitropyridin-2-amine
PubChem CID90426708
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC NameN-cyclobutyl-6-ethynyl-3-nitropyridin-2-amine
SMILESC#Cc1ccc([N+](=O)[O-])c(NC2CCC2)n1
InChIInChI=1S/C11H11N3O2/c1-2-8-6-7-10(14(15)16)11(12-8)13-9-4-3-5-9/h1,6-7,9H,3-5H2,(H,12,13)
InChIKeyRGJBNWMSINUCON-UHFFFAOYSA-N
XLogP1.94
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.94
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-cyclohexyl-3-nitropyridin-2-amine
CID 43152693
3-nitro-2-N-(oxan-3-yl)pyridine-2,6-diamine
CID 80830518
2-N-cyclooctyl-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80771600
N-cyclopropyl-3-nitropyridin-2-amine;hydrochloride
CID 133059151
6-N-cycloheptyl-3-nitropyridine-2,6-diamine
CID 79826518
2-N-(4-methylcyclohexyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80771612
2-N-(3-methoxycyclopentyl)-3-nitropyridine-2,6-diamine
CID 114118406
1-N-(6-methyl-3-nitro-2-pyridinyl)cyclobutane-1,3-diamine
CID 81135844
6-methoxy-N-(3-methylsulfanylcyclohexyl)-3-nitropyridin-2-amine
CID 103739215
methyl 6-[(3-methylcyclohexyl)amino]-5-nitropyridine-2-carboxylate
CID 114403615
2-[4-[(6-chloro-3-nitro-2-pyridinyl)amino]cyclohexyl]acetonitrile
CID 163206956
N-(4,4-dimethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine
CID 115321551

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-6-ethynyl-3-nitropyridin-2-amine?
The IUPAC name of N-cyclobutyl-6-ethynyl-3-nitropyridin-2-amine (CID 90426708) is N-cyclobutyl-6-ethynyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-cyclobutyl-6-ethynyl-3-nitropyridin-2-amine?
The canonical SMILES for N-cyclobutyl-6-ethynyl-3-nitropyridin-2-amine is C#Cc1ccc([N+](=O)[O-])c(NC2CCC2)n1.
What is the InChIKey of N-cyclobutyl-6-ethynyl-3-nitropyridin-2-amine?
The InChIKey is RGJBNWMSINUCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-2-8-6-7-10(14(15)16)11(12-8)13-9-4-3-5-9/h1,6-7,9H,3-5H2,(H,12,13).
What are the key properties of N-cyclobutyl-6-ethynyl-3-nitropyridin-2-amine?
N-cyclobutyl-6-ethynyl-3-nitropyridin-2-amine has a molecular weight of 217.23 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-6-ethynyl-3-nitropyridin-2-amine is sourced from PubChem (CID 90426708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).