N-[2-(4-fluorophenyl)ethyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide

C20H15F4N3O — CID 109158740

IUPACN-[2-(4-fluorophenyl)ethyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccc(Nc2ccc(F)c(F)c2F)nc1
InChIInChI=1S/C20H15F4N3O/c21-14-4-1-12(2-5-14)9-10-25-20(28)13-3-8-17(26-11-13)27-16-7-6-15(22)18(23)19(16)24/h1-8,11H,9-10H2,(H,25,28)(H,26,27)
InChIKeyNLGWNQQYLNMDCM-UHFFFAOYSA-N
MW389.35 g/mol
LogP4.35
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide

N-[2-(4-fluorophenyl)ethyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide (PubChem CID 109158740) has the molecular formula C20H15F4N3O and a molecular weight of 389.35 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
PubChem CID109158740
Molecular FormulaC20H15F4N3O
Molecular Weight389.35 g/mol
Exact Mass389.12
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccc(Nc2ccc(F)c(F)c2F)nc1
InChIInChI=1S/C20H15F4N3O/c21-14-4-1-12(2-5-14)9-10-25-20(28)13-3-8-17(26-11-13)27-16-7-6-15(22)18(23)19(16)24/h1-8,11H,9-10H2,(H,25,28)(H,26,27)
InChIKeyNLGWNQQYLNMDCM-UHFFFAOYSA-N
XLogP4.35
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.35
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-6-hydrazinylpyridine-3-carboxamide
CID 62237222
N-[(2-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109156594
N-[2-(4-fluorophenyl)ethyl]-6-(prop-2-enylamino)pyridine-3-carboxamide
CID 109151422
N-[2-(4-fluorophenyl)ethyl]-6-(pentylamino)pyridine-3-carboxamide
CID 109158696
6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158344
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109158733
6-[3-(dimethylamino)propylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109154237
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
N-(3-fluorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109164774
N-[2-(4-fluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 27019140
N-benzyl-N-ethyl-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109157654
2-(4-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109260068

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide (CID 109158740) is N-[2-(4-fluorophenyl)ethyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide is O=C(NCCc1ccc(F)cc1)c1ccc(Nc2ccc(F)c(F)c2F)nc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide?
The InChIKey is NLGWNQQYLNMDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N3O/c21-14-4-1-12(2-5-14)9-10-25-20(28)13-3-8-17(26-11-13)27-16-7-6-15(22)18(23)19(16)24/h1-8,11H,9-10H2,(H,25,28)(H,26,27).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide has a molecular weight of 389.35 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109158740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).