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

C19H15ClFN3O — CID 109233349

IUPAC5-(3-chloroanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1F)c1cncc(Nc2cccc(Cl)c2)c1
InChIInChI=1S/C19H15ClFN3O/c20-15-5-3-6-16(9-15)24-17-8-14(10-22-12-17)19(25)23-11-13-4-1-2-7-18(13)21/h1-10,12,24H,11H2,(H,23,25)
InChIKeyFZJWNBJIPSPEDJ-UHFFFAOYSA-N
MW355.80 g/mol
LogP4.55
Rot. Bonds5

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

5-(3-chloroanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 109233349) has the molecular formula C19H15ClFN3O and a molecular weight of 355.80 g/mol. Its IUPAC name is 5-(3-chloroanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-chloroanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
PubChem CID109233349
Molecular FormulaC19H15ClFN3O
Molecular Weight355.80 g/mol
Exact Mass355.09
IUPAC Name5-(3-chloroanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1F)c1cncc(Nc2cccc(Cl)c2)c1
InChIInChI=1S/C19H15ClFN3O/c20-15-5-3-6-16(9-15)24-17-8-14(10-22-12-17)19(25)23-11-13-4-1-2-7-18(13)21/h1-10,12,24H,11H2,(H,23,25)
InChIKeyFZJWNBJIPSPEDJ-UHFFFAOYSA-N
XLogP4.55
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109233337
5-(3-chloroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236453
5-(3-chloroanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109244464
N-[(2-fluorophenyl)methyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109233370
N-[(2-chlorophenyl)methyl]-5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109233796
N-[(2-fluorophenyl)methyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109233382
N-[(2-chlorophenyl)methyl]-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109233871
5-(3-chloroanilino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 109244550
5-(4-chloro-2-methylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236280
5-N-[(2-fluorophenyl)methyl]-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105507
5-(3-acetamidoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232047
5-N-tert-butyl-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105517

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloroanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(3-chloroanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide (CID 109233349) is 5-(3-chloroanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-chloroanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(3-chloroanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide is O=C(NCc1ccccc1F)c1cncc(Nc2cccc(Cl)c2)c1.
What is the InChIKey of 5-(3-chloroanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is FZJWNBJIPSPEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O/c20-15-5-3-6-16(9-15)24-17-8-14(10-22-12-17)19(25)23-11-13-4-1-2-7-18(13)21/h1-10,12,24H,11H2,(H,23,25).
What are the key properties of 5-(3-chloroanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide?
5-(3-chloroanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 355.80 g/mol, XLogP of 4.55, 5 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-fluorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109233349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).