5-methyl-1-(1-methylpyrazol-4-yl)-3-(propan-2-ylamino)pyridin-2-one

C13H18N4O — CID 137449606

IUPAC5-methyl-1-(1-methylpyrazol-4-yl)-3-(propan-2-ylamino)pyridin-2-one
SMILESCc1cc(NC(C)C)c(=O)n(-c2cnn(C)c2)c1
InChIInChI=1S/C13H18N4O/c1-9(2)15-12-5-10(3)7-17(13(12)18)11-6-14-16(4)8-11/h5-9,15H,1-4H3
InChIKeyWSRDSCBRTTZJTL-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.70
Rot. Bonds3

About 5-methyl-1-(1-methylpyrazol-4-yl)-3-(propan-2-ylamino)pyridin-2-one

5-methyl-1-(1-methylpyrazol-4-yl)-3-(propan-2-ylamino)pyridin-2-one (PubChem CID 137449606) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-methyl-1-(1-methylpyrazol-4-yl)-3-(propan-2-ylamino)pyridin-2-one.

Molecular Properties

Compound Name5-methyl-1-(1-methylpyrazol-4-yl)-3-(propan-2-ylamino)pyridin-2-one
PubChem CID137449606
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5-methyl-1-(1-methylpyrazol-4-yl)-3-(propan-2-ylamino)pyridin-2-one
SMILESCc1cc(NC(C)C)c(=O)n(-c2cnn(C)c2)c1
InChIInChI=1S/C13H18N4O/c1-9(2)15-12-5-10(3)7-17(13(12)18)11-6-14-16(4)8-11/h5-9,15H,1-4H3
InChIKeyWSRDSCBRTTZJTL-UHFFFAOYSA-N
XLogP1.70
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(1-methylpyrazol-4-yl)-3-(propan-2-ylamino)pyridin-2-one?
The IUPAC name of 5-methyl-1-(1-methylpyrazol-4-yl)-3-(propan-2-ylamino)pyridin-2-one (CID 137449606) is 5-methyl-1-(1-methylpyrazol-4-yl)-3-(propan-2-ylamino)pyridin-2-one.
What is the SMILES notation for 5-methyl-1-(1-methylpyrazol-4-yl)-3-(propan-2-ylamino)pyridin-2-one?
The canonical SMILES for 5-methyl-1-(1-methylpyrazol-4-yl)-3-(propan-2-ylamino)pyridin-2-one is Cc1cc(NC(C)C)c(=O)n(-c2cnn(C)c2)c1.
What is the InChIKey of 5-methyl-1-(1-methylpyrazol-4-yl)-3-(propan-2-ylamino)pyridin-2-one?
The InChIKey is WSRDSCBRTTZJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9(2)15-12-5-10(3)7-17(13(12)18)11-6-14-16(4)8-11/h5-9,15H,1-4H3.
What are the key properties of 5-methyl-1-(1-methylpyrazol-4-yl)-3-(propan-2-ylamino)pyridin-2-one?
5-methyl-1-(1-methylpyrazol-4-yl)-3-(propan-2-ylamino)pyridin-2-one has a molecular weight of 246.31 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(1-methylpyrazol-4-yl)-3-(propan-2-ylamino)pyridin-2-one is sourced from PubChem (CID 137449606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).