2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyridine-4-carboxamide

C21H20ClN3O — CID 109171588

IUPAC2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyridine-4-carboxamide
SMILESCCN(Cc1ccccc1)c1cc(C(=O)Nc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C21H20ClN3O/c1-2-25(15-16-6-4-3-5-7-16)20-14-17(12-13-23-20)21(26)24-19-10-8-18(22)9-11-19/h3-14H,2,15H2,1H3,(H,24,26)
InChIKeyDMIHWDLPMFVXIY-UHFFFAOYSA-N
MW365.86 g/mol
LogP5.01
Rot. Bonds6

About 2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyridine-4-carboxamide

2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyridine-4-carboxamide (PubChem CID 109171588) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyridine-4-carboxamide
PubChem CID109171588
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyridine-4-carboxamide
SMILESCCN(Cc1ccccc1)c1cc(C(=O)Nc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C21H20ClN3O/c1-2-25(15-16-6-4-3-5-7-16)20-14-17(12-13-23-20)21(26)24-19-10-8-18(22)9-11-19/h3-14H,2,15H2,1H3,(H,24,26)
InChIKeyDMIHWDLPMFVXIY-UHFFFAOYSA-N
XLogP5.01
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.86
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(ethyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-4-carboxamide
CID 109171589
2-[benzyl(ethyl)amino]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109171593
2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109306739
2-[benzyl(ethyl)amino]-N-quinolin-8-ylpyridine-4-carboxamide
CID 109171613
2-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-4-carboxamide
CID 109171578
6-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109349416
6-[benzyl(ethyl)amino]-N-(3-chlorophenyl)pyridazine-3-carboxamide
CID 109120537
2-[benzyl(ethyl)amino]-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109306779
2-N-benzyl-4-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109085462
2-anilino-N-[4-(diethylamino)phenyl]pyridine-4-carboxamide
CID 109176141
3-N-benzyl-1-N-(4-chlorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109054551
6-[benzyl(ethyl)amino]-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109370607

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyridine-4-carboxamide (CID 109171588) is 2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyridine-4-carboxamide is CCN(Cc1ccccc1)c1cc(C(=O)Nc2ccc(Cl)cc2)ccn1.
What is the InChIKey of 2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyridine-4-carboxamide?
The InChIKey is DMIHWDLPMFVXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-2-25(15-16-6-4-3-5-7-16)20-14-17(12-13-23-20)21(26)24-19-10-8-18(22)9-11-19/h3-14H,2,15H2,1H3,(H,24,26).
What are the key properties of 2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyridine-4-carboxamide?
2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyridine-4-carboxamide has a molecular weight of 365.86 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109171588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).