3-amino-1-[(1-methylindazol-3-yl)methyl]pyridin-4-one

C14H14N4O — CID 82990279

IUPAC3-amino-1-[(1-methylindazol-3-yl)methyl]pyridin-4-one
SMILESCn1nc(Cn2ccc(=O)c(N)c2)c2ccccc21
InChIInChI=1S/C14H14N4O/c1-17-13-5-3-2-4-10(13)12(16-17)9-18-7-6-14(19)11(15)8-18/h2-8H,9,15H2,1H3
InChIKeyQCWKZCUJOADCLF-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.37
Rot. Bonds2

About 3-amino-1-[(1-methylindazol-3-yl)methyl]pyridin-4-one

3-amino-1-[(1-methylindazol-3-yl)methyl]pyridin-4-one (PubChem CID 82990279) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-amino-1-[(1-methylindazol-3-yl)methyl]pyridin-4-one.

Molecular Properties

Compound Name3-amino-1-[(1-methylindazol-3-yl)methyl]pyridin-4-one
PubChem CID82990279
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name3-amino-1-[(1-methylindazol-3-yl)methyl]pyridin-4-one
SMILESCn1nc(Cn2ccc(=O)c(N)c2)c2ccccc21
InChIInChI=1S/C14H14N4O/c1-17-13-5-3-2-4-10(13)12(16-17)9-18-7-6-14(19)11(15)8-18/h2-8H,9,15H2,1H3
InChIKeyQCWKZCUJOADCLF-UHFFFAOYSA-N
XLogP1.37
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(1-methylindazol-3-yl)methyl]pyridin-4-one?
The IUPAC name of 3-amino-1-[(1-methylindazol-3-yl)methyl]pyridin-4-one (CID 82990279) is 3-amino-1-[(1-methylindazol-3-yl)methyl]pyridin-4-one.
What is the SMILES notation for 3-amino-1-[(1-methylindazol-3-yl)methyl]pyridin-4-one?
The canonical SMILES for 3-amino-1-[(1-methylindazol-3-yl)methyl]pyridin-4-one is Cn1nc(Cn2ccc(=O)c(N)c2)c2ccccc21.
What is the InChIKey of 3-amino-1-[(1-methylindazol-3-yl)methyl]pyridin-4-one?
The InChIKey is QCWKZCUJOADCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-17-13-5-3-2-4-10(13)12(16-17)9-18-7-6-14(19)11(15)8-18/h2-8H,9,15H2,1H3.
What are the key properties of 3-amino-1-[(1-methylindazol-3-yl)methyl]pyridin-4-one?
3-amino-1-[(1-methylindazol-3-yl)methyl]pyridin-4-one has a molecular weight of 254.29 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(1-methylindazol-3-yl)methyl]pyridin-4-one is sourced from PubChem (CID 82990279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).