N-[3-(ethylaminomethyl)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide;hydrochloride

C16H20ClN3O2 — CID 119438297

IUPACN-[3-(ethylaminomethyl)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide;hydrochloride
SMILESCCNCc1cccc(NC(=O)c2c[nH]c(C)cc2=O)c1.Cl
InChIInChI=1S/C16H19N3O2.ClH/c1-3-17-9-12-5-4-6-13(8-12)19-16(21)14-10-18-11(2)7-15(14)20;/h4-8,10,17H,3,9H2,1-2H3,(H,18,20)(H,19,21);1H
InChIKeyBUGDQTRVCZQJCF-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.47
Rot. Bonds5

About N-[3-(ethylaminomethyl)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide;hydrochloride

N-[3-(ethylaminomethyl)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide;hydrochloride (PubChem CID 119438297) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is N-[3-(ethylaminomethyl)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(ethylaminomethyl)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide;hydrochloride
PubChem CID119438297
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC NameN-[3-(ethylaminomethyl)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide;hydrochloride
SMILESCCNCc1cccc(NC(=O)c2c[nH]c(C)cc2=O)c1.Cl
InChIInChI=1S/C16H19N3O2.ClH/c1-3-17-9-12-5-4-6-13(8-12)19-16(21)14-10-18-11(2)7-15(14)20;/h4-8,10,17H,3,9H2,1-2H3,(H,18,20)(H,19,21);1H
InChIKeyBUGDQTRVCZQJCF-UHFFFAOYSA-N
XLogP2.47
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-(ethylaminomethyl)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

6-methyl-4-oxo-N-phenyl-1H-pyridine-3-carboxamide
CID 110856546
N-[3-(ethylaminomethyl)phenyl]-3-hydroxy-2-methylbenzamide
CID 82808670
4-bromo-N-[3-(ethylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 43601282
6-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide
CID 110860870
2-bromo-N-[3-(ethylaminomethyl)phenyl]-3-methylbenzamide
CID 107983060
1-ethyl-N-[3-(ethylaminomethyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 119438335
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
2,5-dibromo-N-[3-(ethylaminomethyl)phenyl]benzamide
CID 114374231
N-[3-(ethylaminomethyl)phenyl]-2-hydroxy-5-iodobenzamide
CID 107732035
5-tert-butyl-N-[3-(ethylaminomethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 119438538
N-(2-ethyl-6-methylphenyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 110858010
N-[2-(ethylamino)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103806326

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylaminomethyl)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(ethylaminomethyl)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide;hydrochloride (CID 119438297) is N-[3-(ethylaminomethyl)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(ethylaminomethyl)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(ethylaminomethyl)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide;hydrochloride is CCNCc1cccc(NC(=O)c2c[nH]c(C)cc2=O)c1.Cl.
What is the InChIKey of N-[3-(ethylaminomethyl)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide;hydrochloride?
The InChIKey is BUGDQTRVCZQJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2.ClH/c1-3-17-9-12-5-4-6-13(8-12)19-16(21)14-10-18-11(2)7-15(14)20;/h4-8,10,17H,3,9H2,1-2H3,(H,18,20)(H,19,21);1H.
What are the key properties of N-[3-(ethylaminomethyl)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide;hydrochloride?
N-[3-(ethylaminomethyl)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide;hydrochloride has a molecular weight of 321.81 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylaminomethyl)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119438297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).