5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide

C22H22ClN3O — CID 109233790

IUPAC5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)c1cncc(C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C22H22ClN3O/c1-2-26(16-17-8-4-3-5-9-17)20-12-19(13-24-15-20)22(27)25-14-18-10-6-7-11-21(18)23/h3-13,15H,2,14,16H2,1H3,(H,25,27)
InChIKeyJJIAWCFGNZPFFI-UHFFFAOYSA-N
MW379.89 g/mol
LogP4.69
Rot. Bonds7

About 5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide

5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 109233790) has the molecular formula C22H22ClN3O and a molecular weight of 379.89 g/mol. Its IUPAC name is 5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide
PubChem CID109233790
Molecular FormulaC22H22ClN3O
Molecular Weight379.89 g/mol
Exact Mass379.15
IUPAC Name5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)c1cncc(C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C22H22ClN3O/c1-2-26(16-17-8-4-3-5-9-17)20-12-19(13-24-15-20)22(27)25-14-18-10-6-7-11-21(18)23/h3-13,15H,2,14,16H2,1H3,(H,25,27)
InChIKeyJJIAWCFGNZPFFI-UHFFFAOYSA-N
XLogP4.69
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[benzyl(ethyl)amino]-N-phenylpyridine-3-carboxamide
CID 109234844
5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 109234873
5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109281796
5-N-butyl-3-N-[(2-chlorophenyl)methyl]-5-N-methylpyridine-3,5-dicarboxamide
CID 109105659
N-[(2-chlorophenyl)methyl]-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223386
5-[benzyl(ethyl)amino]-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 109234876
N-benzyl-5-(N-ethylanilino)pyridine-3-carboxamide
CID 109231703
5-[benzyl(ethyl)amino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109234877
N-[(2-chlorophenyl)methyl]-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109233806
5-[benzyl(ethyl)amino]-N-butyl-N-methylpyridine-3-carboxamide
CID 109234838
2-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide
CID 109170290
methyl 3-[[5-[benzyl(ethyl)amino]pyridine-3-carbonyl]amino]benzoate
CID 109234896

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide (CID 109233790) is 5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide is CCN(Cc1ccccc1)c1cncc(C(=O)NCc2ccccc2Cl)c1.
What is the InChIKey of 5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is JJIAWCFGNZPFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O/c1-2-26(16-17-8-4-3-5-9-17)20-12-19(13-24-15-20)22(27)25-14-18-10-6-7-11-21(18)23/h3-13,15H,2,14,16H2,1H3,(H,25,27).
What are the key properties of 5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide?
5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 379.89 g/mol, XLogP of 4.69, 7 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-[(2-chlorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109233790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).