2-[benzyl(ethyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-4-carboxamide

C21H19ClFN3O — CID 109171589

IUPAC2-[benzyl(ethyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-4-carboxamide
SMILESCCN(Cc1ccccc1)c1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccn1
InChIInChI=1S/C21H19ClFN3O/c1-2-26(14-15-6-4-3-5-7-15)20-12-16(10-11-24-20)21(27)25-17-8-9-19(23)18(22)13-17/h3-13H,2,14H2,1H3,(H,25,27)
InChIKeyFTYVRZIHNFCUDD-UHFFFAOYSA-N
MW383.85 g/mol
LogP5.15
Rot. Bonds6

About 2-[benzyl(ethyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-4-carboxamide

2-[benzyl(ethyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-4-carboxamide (PubChem CID 109171589) has the molecular formula C21H19ClFN3O and a molecular weight of 383.85 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-4-carboxamide
PubChem CID109171589
Molecular FormulaC21H19ClFN3O
Molecular Weight383.85 g/mol
Exact Mass383.12
IUPAC Name2-[benzyl(ethyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-4-carboxamide
SMILESCCN(Cc1ccccc1)c1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccn1
InChIInChI=1S/C21H19ClFN3O/c1-2-26(14-15-6-4-3-5-7-15)20-12-16(10-11-24-20)21(27)25-17-8-9-19(23)18(22)13-17/h3-13H,2,14H2,1H3,(H,25,27)
InChIKeyFTYVRZIHNFCUDD-UHFFFAOYSA-N
XLogP5.15
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.85
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 109171588
2-[benzyl(ethyl)amino]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109171593
6-[benzyl(methyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide
CID 109156302
2-[benzyl(ethyl)amino]-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109306779
N-(3-chloro-4-fluorophenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 62166984
2-[benzyl(ethyl)amino]-N-quinolin-8-ylpyridine-4-carboxamide
CID 109171613
4-N-(3-chloro-4-fluorophenyl)-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109091494
2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109306739
2-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-4-carboxamide
CID 109171578
6-[benzyl(ethyl)amino]-N-(3-chlorophenyl)pyridazine-3-carboxamide
CID 109120537
5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyrazine-2-carboxamide
CID 109282885
N-(3-chloro-4-fluorophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide
CID 109170168

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-[benzyl(ethyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-4-carboxamide (CID 109171589) is 2-[benzyl(ethyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[benzyl(ethyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-4-carboxamide is CCN(Cc1ccccc1)c1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccn1.
What is the InChIKey of 2-[benzyl(ethyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-4-carboxamide?
The InChIKey is FTYVRZIHNFCUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O/c1-2-26(14-15-6-4-3-5-7-15)20-12-16(10-11-24-20)21(27)25-17-8-9-19(23)18(22)13-17/h3-13H,2,14H2,1H3,(H,25,27).
What are the key properties of 2-[benzyl(ethyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-4-carboxamide?
2-[benzyl(ethyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-4-carboxamide has a molecular weight of 383.85 g/mol, XLogP of 5.15, 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-(3-chloro-4-fluorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109171589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).