5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide

C22H22ClN3O — CID 109234873

IUPAC5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)c1cncc(C(=O)Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C22H22ClN3O/c1-3-26(15-17-7-5-4-6-8-17)20-11-18(13-24-14-20)22(27)25-19-10-9-16(2)21(23)12-19/h4-14H,3,15H2,1-2H3,(H,25,27)
InChIKeyOFNJUYVBTHRUEP-UHFFFAOYSA-N
MW379.89 g/mol
LogP5.32
Rot. Bonds6

About 5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide

5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide (PubChem CID 109234873) has the molecular formula C22H22ClN3O and a molecular weight of 379.89 g/mol. Its IUPAC name is 5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide
PubChem CID109234873
Molecular FormulaC22H22ClN3O
Molecular Weight379.89 g/mol
Exact Mass379.15
IUPAC Name5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)c1cncc(C(=O)Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C22H22ClN3O/c1-3-26(15-17-7-5-4-6-8-17)20-11-18(13-24-14-20)22(27)25-19-10-9-16(2)21(23)12-19/h4-14H,3,15H2,1-2H3,(H,25,27)
InChIKeyOFNJUYVBTHRUEP-UHFFFAOYSA-N
XLogP5.32
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.89
LogP ≤ 55.32
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)pyrazine-2-carboxamide
CID 109282885
methyl 3-[[5-[benzyl(ethyl)amino]pyridine-3-carbonyl]amino]benzoate
CID 109234896
5-[benzyl(methyl)amino]-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 109233202
5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide
CID 109233790
5-[benzyl(ethyl)amino]-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 109190828
2-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide
CID 109256820
5-[benzyl(ethyl)amino]-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 109234876
5-[benzyl(ethyl)amino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109234877
3-N-(3-chloro-4-methylphenyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107869
N-(3-chloro-4-methylphenyl)-5-hydroxypyridine-3-carboxamide
CID 63865104
2-[benzyl(propan-2-yl)amino]-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide
CID 109263371

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide (CID 109234873) is 5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide is CCN(Cc1ccccc1)c1cncc(C(=O)Nc2ccc(C)c(Cl)c2)c1.
What is the InChIKey of 5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide?
The InChIKey is OFNJUYVBTHRUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O/c1-3-26(15-17-7-5-4-6-8-17)20-11-18(13-24-14-20)22(27)25-19-10-9-16(2)21(23)12-19/h4-14H,3,15H2,1-2H3,(H,25,27).
What are the key properties of 5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide?
5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide has a molecular weight of 379.89 g/mol, XLogP of 5.32, 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-(3-chloro-4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109234873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).