1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyridin-2-one

C14H16N2O — CID 171746151

IUPAC1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyridin-2-one
SMILESCC(C)c1ccc(-c2cccn(C)c2=O)cn1
InChIInChI=1S/C14H16N2O/c1-10(2)13-7-6-11(9-15-13)12-5-4-8-16(3)14(12)17/h4-10H,1-3H3
InChIKeyALVHITYUEPQWIP-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.57
Rot. Bonds2

About 1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyridin-2-one

1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyridin-2-one (PubChem CID 171746151) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyridin-2-one
PubChem CID171746151
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyridin-2-one
SMILESCC(C)c1ccc(-c2cccn(C)c2=O)cn1
InChIInChI=1S/C14H16N2O/c1-10(2)13-7-6-11(9-15-13)12-5-4-8-16(3)14(12)17/h4-10H,1-3H3
InChIKeyALVHITYUEPQWIP-UHFFFAOYSA-N
XLogP2.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyridin-2-one?
The IUPAC name of 1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyridin-2-one (CID 171746151) is 1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyridin-2-one.
What is the SMILES notation for 1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyridin-2-one?
The canonical SMILES for 1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyridin-2-one is CC(C)c1ccc(-c2cccn(C)c2=O)cn1.
What is the InChIKey of 1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyridin-2-one?
The InChIKey is ALVHITYUEPQWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10(2)13-7-6-11(9-15-13)12-5-4-8-16(3)14(12)17/h4-10H,1-3H3.
What are the key properties of 1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyridin-2-one?
1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyridin-2-one has a molecular weight of 228.30 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyridin-2-one is sourced from PubChem (CID 171746151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).