(4-amino-2-methyl-3-pyridinyl)-phenylmethanone;hydrochloride

C13H13ClN2O — CID 174329112

IUPAC(4-amino-2-methyl-3-pyridinyl)-phenylmethanone;hydrochloride
SMILESCc1nccc(N)c1C(=O)c1ccccc1.Cl
InChIInChI=1S/C13H12N2O.ClH/c1-9-12(11(14)7-8-15-9)13(16)10-5-3-2-4-6-10;/h2-8H,1H3,(H2,14,15);1H
InChIKeyLXNRQUNGGGZHGD-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.63
Rot. Bonds2

About (4-amino-2-methyl-3-pyridinyl)-phenylmethanone;hydrochloride

(4-amino-2-methyl-3-pyridinyl)-phenylmethanone;hydrochloride (PubChem CID 174329112) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is (4-amino-2-methyl-3-pyridinyl)-phenylmethanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-2-methyl-3-pyridinyl)-phenylmethanone;hydrochloride
PubChem CID174329112
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name(4-amino-2-methyl-3-pyridinyl)-phenylmethanone;hydrochloride
SMILESCc1nccc(N)c1C(=O)c1ccccc1.Cl
InChIInChI=1S/C13H12N2O.ClH/c1-9-12(11(14)7-8-15-9)13(16)10-5-3-2-4-6-10;/h2-8H,1H3,(H2,14,15);1H
InChIKeyLXNRQUNGGGZHGD-UHFFFAOYSA-N
XLogP2.63
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-amino-2-methyl-3-pyridinyl)-phenylmethanone;hydrochloride 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 (4-amino-2-methyl-3-pyridinyl)-phenylmethanone;hydrochloride?
The IUPAC name of (4-amino-2-methyl-3-pyridinyl)-phenylmethanone;hydrochloride (CID 174329112) is (4-amino-2-methyl-3-pyridinyl)-phenylmethanone;hydrochloride.
What is the SMILES notation for (4-amino-2-methyl-3-pyridinyl)-phenylmethanone;hydrochloride?
The canonical SMILES for (4-amino-2-methyl-3-pyridinyl)-phenylmethanone;hydrochloride is Cc1nccc(N)c1C(=O)c1ccccc1.Cl.
What is the InChIKey of (4-amino-2-methyl-3-pyridinyl)-phenylmethanone;hydrochloride?
The InChIKey is LXNRQUNGGGZHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O.ClH/c1-9-12(11(14)7-8-15-9)13(16)10-5-3-2-4-6-10;/h2-8H,1H3,(H2,14,15);1H.
What are the key properties of (4-amino-2-methyl-3-pyridinyl)-phenylmethanone;hydrochloride?
(4-amino-2-methyl-3-pyridinyl)-phenylmethanone;hydrochloride has a molecular weight of 248.71 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methyl-3-pyridinyl)-phenylmethanone;hydrochloride is sourced from PubChem (CID 174329112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).