(3-amino-2-pyridinyl)-cyclobutylmethanone

C10H12N2O — CID 116613925

IUPAC(3-amino-2-pyridinyl)-cyclobutylmethanone
SMILESNc1cccnc1C(=O)C1CCC1
InChIInChI=1S/C10H12N2O/c11-8-5-2-6-12-9(8)10(13)7-3-1-4-7/h2,5-7H,1,3-4,11H2
InChIKeyIUOJCGJRZKENRA-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.65
Rot. Bonds2

About (3-amino-2-pyridinyl)-cyclobutylmethanone

(3-amino-2-pyridinyl)-cyclobutylmethanone (PubChem CID 116613925) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (3-amino-2-pyridinyl)-cyclobutylmethanone.

Molecular Properties

Compound Name(3-amino-2-pyridinyl)-cyclobutylmethanone
PubChem CID116613925
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(3-amino-2-pyridinyl)-cyclobutylmethanone
SMILESNc1cccnc1C(=O)C1CCC1
InChIInChI=1S/C10H12N2O/c11-8-5-2-6-12-9(8)10(13)7-3-1-4-7/h2,5-7H,1,3-4,11H2
InChIKeyIUOJCGJRZKENRA-UHFFFAOYSA-N
XLogP1.65
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-amino-2-pyridinyl)-cyclobutylmethanone?
The IUPAC name of (3-amino-2-pyridinyl)-cyclobutylmethanone (CID 116613925) is (3-amino-2-pyridinyl)-cyclobutylmethanone.
What is the SMILES notation for (3-amino-2-pyridinyl)-cyclobutylmethanone?
The canonical SMILES for (3-amino-2-pyridinyl)-cyclobutylmethanone is Nc1cccnc1C(=O)C1CCC1.
What is the InChIKey of (3-amino-2-pyridinyl)-cyclobutylmethanone?
The InChIKey is IUOJCGJRZKENRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c11-8-5-2-6-12-9(8)10(13)7-3-1-4-7/h2,5-7H,1,3-4,11H2.
What are the key properties of (3-amino-2-pyridinyl)-cyclobutylmethanone?
(3-amino-2-pyridinyl)-cyclobutylmethanone has a molecular weight of 176.22 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-pyridinyl)-cyclobutylmethanone is sourced from PubChem (CID 116613925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).