4-methyl-1-[3-(propylamino)propyl]pyridin-2-one

C12H20N2O — CID 62961956

IUPAC4-methyl-1-[3-(propylamino)propyl]pyridin-2-one
SMILESCCCNCCCn1ccc(C)cc1=O
InChIInChI=1S/C12H20N2O/c1-3-6-13-7-4-8-14-9-5-11(2)10-12(14)15/h5,9-10,13H,3-4,6-8H2,1-2H3
InChIKeyMDHPYZRPOHQUMC-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.55
Rot. Bonds6

About 4-methyl-1-[3-(propylamino)propyl]pyridin-2-one

4-methyl-1-[3-(propylamino)propyl]pyridin-2-one (PubChem CID 62961956) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-methyl-1-[3-(propylamino)propyl]pyridin-2-one.

Molecular Properties

Compound Name4-methyl-1-[3-(propylamino)propyl]pyridin-2-one
PubChem CID62961956
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name4-methyl-1-[3-(propylamino)propyl]pyridin-2-one
SMILESCCCNCCCn1ccc(C)cc1=O
InChIInChI=1S/C12H20N2O/c1-3-6-13-7-4-8-14-9-5-11(2)10-12(14)15/h5,9-10,13H,3-4,6-8H2,1-2H3
InChIKeyMDHPYZRPOHQUMC-UHFFFAOYSA-N
XLogP1.55
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[3-(propylamino)propyl]pyridin-2-one?
The IUPAC name of 4-methyl-1-[3-(propylamino)propyl]pyridin-2-one (CID 62961956) is 4-methyl-1-[3-(propylamino)propyl]pyridin-2-one.
What is the SMILES notation for 4-methyl-1-[3-(propylamino)propyl]pyridin-2-one?
The canonical SMILES for 4-methyl-1-[3-(propylamino)propyl]pyridin-2-one is CCCNCCCn1ccc(C)cc1=O.
What is the InChIKey of 4-methyl-1-[3-(propylamino)propyl]pyridin-2-one?
The InChIKey is MDHPYZRPOHQUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-6-13-7-4-8-14-9-5-11(2)10-12(14)15/h5,9-10,13H,3-4,6-8H2,1-2H3.
What are the key properties of 4-methyl-1-[3-(propylamino)propyl]pyridin-2-one?
4-methyl-1-[3-(propylamino)propyl]pyridin-2-one has a molecular weight of 208.31 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[3-(propylamino)propyl]pyridin-2-one is sourced from PubChem (CID 62961956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).