N-[[4-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide

C18H23N3O2 — CID 31610697

IUPACN-[[4-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCCN(CC)Cc1ccc(CNC(=O)c2ccc[nH]c2=O)cc1
InChIInChI=1S/C18H23N3O2/c1-3-21(4-2)13-15-9-7-14(8-10-15)12-20-18(23)16-6-5-11-19-17(16)22/h5-11H,3-4,12-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyWKPVLLIFTMBMQG-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.15
Rot. Bonds7

About N-[[4-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide

N-[[4-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 31610697) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[[4-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID31610697
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[[4-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCCN(CC)Cc1ccc(CNC(=O)c2ccc[nH]c2=O)cc1
InChIInChI=1S/C18H23N3O2/c1-3-21(4-2)13-15-9-7-14(8-10-15)12-20-18(23)16-6-5-11-19-17(16)22/h5-11H,3-4,12-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyWKPVLLIFTMBMQG-UHFFFAOYSA-N
XLogP2.15
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[4-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide 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

N-[(4-ethoxyphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 46858927
N-[[4-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 60516002
N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 56798194
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 55549176
N-[(3,5-difluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 37391009
N-[[4-(cyanomethoxy)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 126810317
2-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 24599022
4-bromo-N-[[4-(diethylaminomethyl)phenyl]methyl]-2-methylbenzamide
CID 55826122
N-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 60515059
4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
CID 3069013
N-(4-ethylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 17476623
4-acetyl-N-[[4-(diethylaminomethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 8948537

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 31610697) is N-[[4-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[4-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide is CCN(CC)Cc1ccc(CNC(=O)c2ccc[nH]c2=O)cc1.
What is the InChIKey of N-[[4-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is WKPVLLIFTMBMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-21(4-2)13-15-9-7-14(8-10-15)12-20-18(23)16-6-5-11-19-17(16)22/h5-11H,3-4,12-13H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[[4-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 31610697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).