1-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]ethanone;ethane

C13H20N2O — CID 170568901

IUPAC1-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]ethanone;ethane
SMILESCC.CC(=O)c1ccc(N(C)C2CC2)nc1
InChIInChI=1S/C11H14N2O.C2H6/c1-8(14)9-3-6-11(12-7-9)13(2)10-4-5-10;1-2/h3,6-7,10H,4-5H2,1-2H3;1-2H3
InChIKeyXVQUGMNPCYXJGG-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.91
Rot. Bonds3

About 1-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]ethanone;ethane

1-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]ethanone;ethane (PubChem CID 170568901) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]ethanone;ethane.

Molecular Properties

Compound Name1-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]ethanone;ethane
PubChem CID170568901
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]ethanone;ethane
SMILESCC.CC(=O)c1ccc(N(C)C2CC2)nc1
InChIInChI=1S/C11H14N2O.C2H6/c1-8(14)9-3-6-11(12-7-9)13(2)10-4-5-10;1-2/h3,6-7,10H,4-5H2,1-2H3;1-2H3
InChIKeyXVQUGMNPCYXJGG-UHFFFAOYSA-N
XLogP2.91
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]ethanone;ethane?
The IUPAC name of 1-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]ethanone;ethane (CID 170568901) is 1-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]ethanone;ethane.
What is the SMILES notation for 1-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]ethanone;ethane?
The canonical SMILES for 1-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]ethanone;ethane is CC.CC(=O)c1ccc(N(C)C2CC2)nc1.
What is the InChIKey of 1-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]ethanone;ethane?
The InChIKey is XVQUGMNPCYXJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O.C2H6/c1-8(14)9-3-6-11(12-7-9)13(2)10-4-5-10;1-2/h3,6-7,10H,4-5H2,1-2H3;1-2H3.
What are the key properties of 1-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]ethanone;ethane?
1-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]ethanone;ethane has a molecular weight of 220.32 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]ethanone;ethane is sourced from PubChem (CID 170568901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).