1-cyclopropyl-6-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one

C13H20N2O — CID 82525225

IUPAC1-cyclopropyl-6-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one
SMILESCc1ccc(CNC(C)C)c(=O)n1C1CC1
InChIInChI=1S/C13H20N2O/c1-9(2)14-8-11-5-4-10(3)15(13(11)16)12-6-7-12/h4-5,9,12,14H,6-8H2,1-3H3
InChIKeyLBOIXDOEGAARAZ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.99
Rot. Bonds4

About 1-cyclopropyl-6-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one

1-cyclopropyl-6-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one (PubChem CID 82525225) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-cyclopropyl-6-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-6-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one
PubChem CID82525225
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-cyclopropyl-6-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one
SMILESCc1ccc(CNC(C)C)c(=O)n1C1CC1
InChIInChI=1S/C13H20N2O/c1-9(2)14-8-11-5-4-10(3)15(13(11)16)12-6-7-12/h4-5,9,12,14H,6-8H2,1-3H3
InChIKeyLBOIXDOEGAARAZ-UHFFFAOYSA-N
XLogP1.99
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-6-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one?
The IUPAC name of 1-cyclopropyl-6-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one (CID 82525225) is 1-cyclopropyl-6-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-6-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one?
The canonical SMILES for 1-cyclopropyl-6-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one is Cc1ccc(CNC(C)C)c(=O)n1C1CC1.
What is the InChIKey of 1-cyclopropyl-6-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one?
The InChIKey is LBOIXDOEGAARAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9(2)14-8-11-5-4-10(3)15(13(11)16)12-6-7-12/h4-5,9,12,14H,6-8H2,1-3H3.
What are the key properties of 1-cyclopropyl-6-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one?
1-cyclopropyl-6-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one has a molecular weight of 220.32 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one is sourced from PubChem (CID 82525225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).