N-[2-(ethylaminomethyl)phenyl]-2-oxo-1H-pyridine-4-carboxamide

C15H17N3O2 — CID 103805548

IUPACN-[2-(ethylaminomethyl)phenyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESCCNCc1ccccc1NC(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C15H17N3O2/c1-2-16-10-12-5-3-4-6-13(12)18-15(20)11-7-8-17-14(19)9-11/h3-9,16H,2,10H2,1H3,(H,17,19)(H,18,20)
InChIKeyJLFLYIMRGRFLJF-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.74
Rot. Bonds5

About N-[2-(ethylaminomethyl)phenyl]-2-oxo-1H-pyridine-4-carboxamide

N-[2-(ethylaminomethyl)phenyl]-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 103805548) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-2-oxo-1H-pyridine-4-carboxamide
PubChem CID103805548
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESCCNCc1ccccc1NC(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C15H17N3O2/c1-2-16-10-12-5-3-4-6-13(12)18-15(20)11-7-8-17-14(19)9-11/h3-9,16H,2,10H2,1H3,(H,17,19)(H,18,20)
InChIKeyJLFLYIMRGRFLJF-UHFFFAOYSA-N
XLogP1.74
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide
CID 43601336
N-(2,6-diethylphenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 110600773
N-[2-(ethylaminomethyl)phenyl]-3,4-dimethylbenzamide;hydrochloride
CID 119440699
N-[2-(ethylaminomethyl)phenyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103793628
3,5-dichloro-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 43601335
3,4-diethoxy-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 119438964
3-bromo-N-[2-(ethylaminomethyl)phenyl]-4-methylbenzamide
CID 81459743
4-acetyl-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 86779920
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethoxybenzamide
CID 119438730
N-(2-chlorophenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 110600737
N-[2-(ethylaminomethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride
CID 119439408
N-[2-(ethylaminomethyl)phenyl]thiophene-3-carboxamide
CID 43601345

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-oxo-1H-pyridine-4-carboxamide (CID 103805548) is N-[2-(ethylaminomethyl)phenyl]-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-2-oxo-1H-pyridine-4-carboxamide is CCNCc1ccccc1NC(=O)c1cc[nH]c(=O)c1.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is JLFLYIMRGRFLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-16-10-12-5-3-4-6-13(12)18-15(20)11-7-8-17-14(19)9-11/h3-9,16H,2,10H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-2-oxo-1H-pyridine-4-carboxamide?
N-[2-(ethylaminomethyl)phenyl]-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 103805548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).