[5-(3,4-difluoroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone

C16H15F2N3O — CID 109225687

IUPAC[5-(3,4-difluoroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cncc(Nc2ccc(F)c(F)c2)c1)N1CCCC1
InChIInChI=1S/C16H15F2N3O/c17-14-4-3-12(8-15(14)18)20-13-7-11(9-19-10-13)16(22)21-5-1-2-6-21/h3-4,7-10,20H,1-2,5-6H2
InChIKeySQBWLMWPNVJJBQ-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.34
Rot. Bonds3

About [5-(3,4-difluoroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone

[5-(3,4-difluoroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 109225687) has the molecular formula C16H15F2N3O and a molecular weight of 303.31 g/mol. Its IUPAC name is [5-(3,4-difluoroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(3,4-difluoroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID109225687
Molecular FormulaC16H15F2N3O
Molecular Weight303.31 g/mol
Exact Mass303.12
IUPAC Name[5-(3,4-difluoroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cncc(Nc2ccc(F)c(F)c2)c1)N1CCCC1
InChIInChI=1S/C16H15F2N3O/c17-14-4-3-12(8-15(14)18)20-13-7-11(9-19-10-13)16(22)21-5-1-2-6-21/h3-4,7-10,20H,1-2,5-6H2
InChIKeySQBWLMWPNVJJBQ-UHFFFAOYSA-N
XLogP3.34
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(3,4-difluoroanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230234
[5-(3,4-difluoroanilino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109238713
[5-(3-chloro-4-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225614
[5-(3,4-dichloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226426
N-[4-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109225638
[2-(3,4-difluoroanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109250086
[5-(3-bromoanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225656
pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 109225633
[5-(4-methoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226378
4-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109241313
4-[5-(3-chloro-4-fluoroanilino)pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109230809
1-[4-[5-(4-chloroanilino)pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109231098

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-difluoroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(3,4-difluoroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 109225687) is [5-(3,4-difluoroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(3,4-difluoroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(3,4-difluoroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone is O=C(c1cncc(Nc2ccc(F)c(F)c2)c1)N1CCCC1.
What is the InChIKey of [5-(3,4-difluoroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is SQBWLMWPNVJJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O/c17-14-4-3-12(8-15(14)18)20-13-7-11(9-19-10-13)16(22)21-5-1-2-6-21/h3-4,7-10,20H,1-2,5-6H2.
What are the key properties of [5-(3,4-difluoroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[5-(3,4-difluoroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 303.31 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-difluoroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109225687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).