4-(N-benzylanilino)-N,N-diethylpyridine-2-carboxamide

C23H25N3O — CID 109216457

IUPAC4-(N-benzylanilino)-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(N(Cc2ccccc2)c2ccccc2)ccn1
InChIInChI=1S/C23H25N3O/c1-3-25(4-2)23(27)22-17-21(15-16-24-22)26(20-13-9-6-10-14-20)18-19-11-7-5-8-12-19/h5-17H,3-4,18H2,1-2H3
InChIKeyXZIOFLYPSUSISA-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.90
Rot. Bonds7

About 4-(N-benzylanilino)-N,N-diethylpyridine-2-carboxamide

4-(N-benzylanilino)-N,N-diethylpyridine-2-carboxamide (PubChem CID 109216457) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-(N-benzylanilino)-N,N-diethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(N-benzylanilino)-N,N-diethylpyridine-2-carboxamide
PubChem CID109216457
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name4-(N-benzylanilino)-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(N(Cc2ccccc2)c2ccccc2)ccn1
InChIInChI=1S/C23H25N3O/c1-3-25(4-2)23(27)22-17-21(15-16-24-22)26(20-13-9-6-10-14-20)18-19-11-7-5-8-12-19/h5-17H,3-4,18H2,1-2H3
InChIKeyXZIOFLYPSUSISA-UHFFFAOYSA-N
XLogP4.90
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(N-benzylanilino)-N,N-diethylpyridine-2-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-benzyl-4-(N-ethylanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109217216
4-(N-ethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109219349
4-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205803
4-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-2-carboxamide
CID 109217244
N-benzyl-N-ethyl-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109349515
N-benzyl-N-ethyl-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203831
2-[benzyl(methyl)amino]-N,N-diethylpyrimidine-4-carboxamide
CID 109305008
N-benzyl-4-[4-(dimethylamino)anilino]-N-ethylpyridine-2-carboxamide
CID 109212563
4-[2-aminoethyl(ethyl)amino]-N,N-diethylpyridine-2-carboxamide
CID 63765883
N-tert-butyl-4-(N-ethylanilino)pyridine-2-carboxamide
CID 109216854
N-benzyl-4-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109209759
4-(azepane-1-carbonyl)-N-benzyl-N-ethylpyridine-2-carboxamide
CID 109087072

Frequently Asked Questions

What is the IUPAC name of 4-(N-benzylanilino)-N,N-diethylpyridine-2-carboxamide?
The IUPAC name of 4-(N-benzylanilino)-N,N-diethylpyridine-2-carboxamide (CID 109216457) is 4-(N-benzylanilino)-N,N-diethylpyridine-2-carboxamide.
What is the SMILES notation for 4-(N-benzylanilino)-N,N-diethylpyridine-2-carboxamide?
The canonical SMILES for 4-(N-benzylanilino)-N,N-diethylpyridine-2-carboxamide is CCN(CC)C(=O)c1cc(N(Cc2ccccc2)c2ccccc2)ccn1.
What is the InChIKey of 4-(N-benzylanilino)-N,N-diethylpyridine-2-carboxamide?
The InChIKey is XZIOFLYPSUSISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-3-25(4-2)23(27)22-17-21(15-16-24-22)26(20-13-9-6-10-14-20)18-19-11-7-5-8-12-19/h5-17H,3-4,18H2,1-2H3.
What are the key properties of 4-(N-benzylanilino)-N,N-diethylpyridine-2-carboxamide?
4-(N-benzylanilino)-N,N-diethylpyridine-2-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-benzylanilino)-N,N-diethylpyridine-2-carboxamide is sourced from PubChem (CID 109216457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).