5-acetyl-6-methyl-2-(propylamino)pyridine-3-carbonitrile

C12H15N3O — CID 2767399

IUPAC5-acetyl-6-methyl-2-(propylamino)pyridine-3-carbonitrile
SMILESCCCNc1nc(C)c(C(C)=O)cc1C#N
InChIInChI=1S/C12H15N3O/c1-4-5-14-12-10(7-13)6-11(9(3)16)8(2)15-12/h6H,4-5H2,1-3H3,(H,14,15)
InChIKeyQXQMJUPZPGDDMP-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.29
Rot. Bonds4

About 5-acetyl-6-methyl-2-(propylamino)pyridine-3-carbonitrile

5-acetyl-6-methyl-2-(propylamino)pyridine-3-carbonitrile (PubChem CID 2767399) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-acetyl-6-methyl-2-(propylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-acetyl-6-methyl-2-(propylamino)pyridine-3-carbonitrile
PubChem CID2767399
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name5-acetyl-6-methyl-2-(propylamino)pyridine-3-carbonitrile
SMILESCCCNc1nc(C)c(C(C)=O)cc1C#N
InChIInChI=1S/C12H15N3O/c1-4-5-14-12-10(7-13)6-11(9(3)16)8(2)15-12/h6H,4-5H2,1-3H3,(H,14,15)
InChIKeyQXQMJUPZPGDDMP-UHFFFAOYSA-N
XLogP2.29
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-6-methyl-2-(propylamino)pyridine-3-carbonitrile?
The IUPAC name of 5-acetyl-6-methyl-2-(propylamino)pyridine-3-carbonitrile (CID 2767399) is 5-acetyl-6-methyl-2-(propylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-acetyl-6-methyl-2-(propylamino)pyridine-3-carbonitrile?
The canonical SMILES for 5-acetyl-6-methyl-2-(propylamino)pyridine-3-carbonitrile is CCCNc1nc(C)c(C(C)=O)cc1C#N.
What is the InChIKey of 5-acetyl-6-methyl-2-(propylamino)pyridine-3-carbonitrile?
The InChIKey is QXQMJUPZPGDDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-4-5-14-12-10(7-13)6-11(9(3)16)8(2)15-12/h6H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 5-acetyl-6-methyl-2-(propylamino)pyridine-3-carbonitrile?
5-acetyl-6-methyl-2-(propylamino)pyridine-3-carbonitrile has a molecular weight of 217.27 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-6-methyl-2-(propylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 2767399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).