5-(3-chloroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide

C20H17ClFN3O — CID 109236453

IUPAC5-(3-chloroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1cncc(Nc2cccc(Cl)c2)c1
InChIInChI=1S/C20H17ClFN3O/c21-16-2-1-3-18(11-16)25-19-10-15(12-23-13-19)20(26)24-9-8-14-4-6-17(22)7-5-14/h1-7,10-13,25H,8-9H2,(H,24,26)
InChIKeyVAHBKEAVSYTHRH-UHFFFAOYSA-N
MW369.83 g/mol
LogP4.59
Rot. Bonds6

About 5-(3-chloroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide

5-(3-chloroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide (PubChem CID 109236453) has the molecular formula C20H17ClFN3O and a molecular weight of 369.83 g/mol. Its IUPAC name is 5-(3-chloroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-chloroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
PubChem CID109236453
Molecular FormulaC20H17ClFN3O
Molecular Weight369.83 g/mol
Exact Mass369.10
IUPAC Name5-(3-chloroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1cncc(Nc2cccc(Cl)c2)c1
InChIInChI=1S/C20H17ClFN3O/c21-16-2-1-3-18(11-16)25-19-10-15(12-23-13-19)20(26)24-9-8-14-4-6-17(22)7-5-14/h1-7,10-13,25H,8-9H2,(H,24,26)
InChIKeyVAHBKEAVSYTHRH-UHFFFAOYSA-N
XLogP4.59
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-chloro-4-methoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236460
5-(3-chloroanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109233349
5-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236485
3-N-[2-(4-fluorophenyl)ethyl]-5-N-phenylpyridine-3,5-dicarboxamide
CID 109106358
5-[4-(dimethylamino)anilino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236480
5-(butylamino)-N-[2-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 109224617
5-(3-chloroanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109244464
5-(2-ethyl-6-methylanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236445
5-(3-chloroanilino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 109244550
N-[2-(3-chlorophenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239903
N-[2-(3-chlorophenyl)ethyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109241132
5-N-(4-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide
CID 109106374

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-(3-chloroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide (CID 109236453) is 5-(3-chloroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-chloroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(3-chloroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide is O=C(NCCc1ccc(F)cc1)c1cncc(Nc2cccc(Cl)c2)c1.
What is the InChIKey of 5-(3-chloroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is VAHBKEAVSYTHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O/c21-16-2-1-3-18(11-16)25-19-10-15(12-23-13-19)20(26)24-9-8-14-4-6-17(22)7-5-14/h1-7,10-13,25H,8-9H2,(H,24,26).
What are the key properties of 5-(3-chloroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
5-(3-chloroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 369.83 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 109236453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).