5-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide

C18H11F4N3O — CID 109200977

IUPAC5-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccc(Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C18H11F4N3O/c19-13-4-1-10(7-15(13)21)24-12-3-6-17(23-9-12)18(26)25-11-2-5-14(20)16(22)8-11/h1-9,24H,(H,25,26)
InChIKeyPOJDFHYETCEDGU-UHFFFAOYSA-N
MW361.30 g/mol
LogP4.63
Rot. Bonds4

About 5-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide

5-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide (PubChem CID 109200977) has the molecular formula C18H11F4N3O and a molecular weight of 361.30 g/mol. Its IUPAC name is 5-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
PubChem CID109200977
Molecular FormulaC18H11F4N3O
Molecular Weight361.30 g/mol
Exact Mass361.08
IUPAC Name5-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccc(Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C18H11F4N3O/c19-13-4-1-10(7-15(13)21)24-12-3-6-17(23-9-12)18(26)25-11-2-5-14(20)16(22)8-11/h1-9,24H,(H,25,26)
InChIKeyPOJDFHYETCEDGU-UHFFFAOYSA-N
XLogP4.63
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.30
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-5-(4-ethylanilino)pyridine-2-carboxamide
CID 109198480
5-(3,4-difluoroanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199817
5-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109200045
ethyl 4-[[5-(3,4-difluoroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109200789
N-(3,4-difluorophenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180618
5-anilino-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 109197085
N-(3-chloro-4-fluorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide
CID 109197511
N-(3,4-dichlorophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294564
N-(3-chloro-4-fluorophenyl)-5-(3-methylanilino)pyridine-2-carboxamide
CID 109197376
5-(3-chloro-4-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109197308
5-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 109199519
5-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109191021

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide (CID 109200977) is 5-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1ccc(Nc2ccc(F)c(F)c2)cn1.
What is the InChIKey of 5-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide?
The InChIKey is POJDFHYETCEDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4N3O/c19-13-4-1-10(7-15(13)21)24-12-3-6-17(23-9-12)18(26)25-11-2-5-14(20)16(22)8-11/h1-9,24H,(H,25,26).
What are the key properties of 5-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide?
5-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide has a molecular weight of 361.30 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109200977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).