5-[benzyl(ethyl)amino]-N-phenylpyridine-3-carboxamide

C21H21N3O — CID 109234844

IUPAC5-[benzyl(ethyl)amino]-N-phenylpyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)c1cncc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C21H21N3O/c1-2-24(16-17-9-5-3-6-10-17)20-13-18(14-22-15-20)21(25)23-19-11-7-4-8-12-19/h3-15H,2,16H2,1H3,(H,23,25)
InChIKeyNCOQSIIRZBYGQU-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.36
Rot. Bonds6

About 5-[benzyl(ethyl)amino]-N-phenylpyridine-3-carboxamide

5-[benzyl(ethyl)amino]-N-phenylpyridine-3-carboxamide (PubChem CID 109234844) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-[benzyl(ethyl)amino]-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[benzyl(ethyl)amino]-N-phenylpyridine-3-carboxamide
PubChem CID109234844
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name5-[benzyl(ethyl)amino]-N-phenylpyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)c1cncc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C21H21N3O/c1-2-24(16-17-9-5-3-6-10-17)20-13-18(14-22-15-20)21(25)23-19-11-7-4-8-12-19/h3-15H,2,16H2,1H3,(H,23,25)
InChIKeyNCOQSIIRZBYGQU-UHFFFAOYSA-N
XLogP4.36
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[benzyl(ethyl)amino]-N-phenylpyridine-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

methyl 3-[[5-[benzyl(ethyl)amino]pyridine-3-carbonyl]amino]benzoate
CID 109234896
5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 109234873
5-(dipropylamino)-N-phenylpyridine-3-carboxamide
CID 109241022
5-[benzyl(ethyl)amino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109234877
5-[benzyl(ethyl)amino]-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 109234876
5-(diethylamino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109238900
5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide
CID 109233790
5-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109233234
5-[benzyl(methyl)amino]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109233203
5-[benzyl(ethyl)amino]-N-butyl-N-methylpyridine-3-carboxamide
CID 109234838
1-[4-[benzyl(ethyl)amino]phenyl]-3-phenylurea
CID 112982864
5-[butyl(methyl)amino]-N-phenylpyridine-3-carboxamide
CID 109240365

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(ethyl)amino]-N-phenylpyridine-3-carboxamide?
The IUPAC name of 5-[benzyl(ethyl)amino]-N-phenylpyridine-3-carboxamide (CID 109234844) is 5-[benzyl(ethyl)amino]-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 5-[benzyl(ethyl)amino]-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 5-[benzyl(ethyl)amino]-N-phenylpyridine-3-carboxamide is CCN(Cc1ccccc1)c1cncc(C(=O)Nc2ccccc2)c1.
What is the InChIKey of 5-[benzyl(ethyl)amino]-N-phenylpyridine-3-carboxamide?
The InChIKey is NCOQSIIRZBYGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-2-24(16-17-9-5-3-6-10-17)20-13-18(14-22-15-20)21(25)23-19-11-7-4-8-12-19/h3-15H,2,16H2,1H3,(H,23,25).
What are the key properties of 5-[benzyl(ethyl)amino]-N-phenylpyridine-3-carboxamide?
5-[benzyl(ethyl)amino]-N-phenylpyridine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(ethyl)amino]-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 109234844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).