1-(2-amino-6-cyclopropyl-4-pyridinyl)ethanone

C10H12N2O — CID 142559522

IUPAC1-(2-amino-6-cyclopropyl-4-pyridinyl)ethanone
SMILESCC(=O)c1cc(N)nc(C2CC2)c1
InChIInChI=1S/C10H12N2O/c1-6(13)8-4-9(7-2-3-7)12-10(11)5-8/h4-5,7H,2-3H2,1H3,(H2,11,12)
InChIKeyVPMHPFZLJBBWKW-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.74
Rot. Bonds2

About 1-(2-amino-6-cyclopropyl-4-pyridinyl)ethanone

1-(2-amino-6-cyclopropyl-4-pyridinyl)ethanone (PubChem CID 142559522) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-(2-amino-6-cyclopropyl-4-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-6-cyclopropyl-4-pyridinyl)ethanone
PubChem CID142559522
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name1-(2-amino-6-cyclopropyl-4-pyridinyl)ethanone
SMILESCC(=O)c1cc(N)nc(C2CC2)c1
InChIInChI=1S/C10H12N2O/c1-6(13)8-4-9(7-2-3-7)12-10(11)5-8/h4-5,7H,2-3H2,1H3,(H2,11,12)
InChIKeyVPMHPFZLJBBWKW-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-cyclopropyl-4-pyridinyl)ethanone?
The IUPAC name of 1-(2-amino-6-cyclopropyl-4-pyridinyl)ethanone (CID 142559522) is 1-(2-amino-6-cyclopropyl-4-pyridinyl)ethanone.
What is the SMILES notation for 1-(2-amino-6-cyclopropyl-4-pyridinyl)ethanone?
The canonical SMILES for 1-(2-amino-6-cyclopropyl-4-pyridinyl)ethanone is CC(=O)c1cc(N)nc(C2CC2)c1.
What is the InChIKey of 1-(2-amino-6-cyclopropyl-4-pyridinyl)ethanone?
The InChIKey is VPMHPFZLJBBWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-6(13)8-4-9(7-2-3-7)12-10(11)5-8/h4-5,7H,2-3H2,1H3,(H2,11,12).
What are the key properties of 1-(2-amino-6-cyclopropyl-4-pyridinyl)ethanone?
1-(2-amino-6-cyclopropyl-4-pyridinyl)ethanone has a molecular weight of 176.22 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-cyclopropyl-4-pyridinyl)ethanone is sourced from PubChem (CID 142559522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).