[4-(3-fluoroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone

C16H16FN3O — CID 109203769

IUPAC[4-(3-fluoroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(Nc2cccc(F)c2)ccn1)N1CCCC1
InChIInChI=1S/C16H16FN3O/c17-12-4-3-5-13(10-12)19-14-6-7-18-15(11-14)16(21)20-8-1-2-9-20/h3-7,10-11H,1-2,8-9H2,(H,18,19)
InChIKeyUSMIGANZAUXNFQ-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.20
Rot. Bonds3

About [4-(3-fluoroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone

[4-(3-fluoroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 109203769) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is [4-(3-fluoroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(3-fluoroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID109203769
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name[4-(3-fluoroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(Nc2cccc(F)c2)ccn1)N1CCCC1
InChIInChI=1S/C16H16FN3O/c17-12-4-3-5-13(10-12)19-14-6-7-18-15(11-14)16(21)20-8-1-2-9-20/h3-7,10-11H,1-2,8-9H2,(H,18,19)
InChIKeyUSMIGANZAUXNFQ-UHFFFAOYSA-N
XLogP3.20
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-[4-(3-fluoroanilino)-2-pyridinyl]methanone
CID 109218603
azepan-1-yl-[4-(2,4-difluoroanilino)-2-pyridinyl]methanone
CID 109218613
azepan-1-yl-[4-(4-ethylanilino)-2-pyridinyl]methanone
CID 109218552
[4-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203723
1-[4-[4-(4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209084
azepan-1-yl-[4-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]methanone
CID 109218598
1-[4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209061
methyl 4-[[2-(azepane-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109218594
piperidin-1-yl-[4-(quinolin-8-ylamino)-2-pyridinyl]methanone
CID 109204521
N-(3-fluorophenyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094901
[4-(3-chloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208151
[4-(3-bromoanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208197

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluoroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(3-fluoroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone (CID 109203769) is [4-(3-fluoroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(3-fluoroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(3-fluoroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone is O=C(c1cc(Nc2cccc(F)c2)ccn1)N1CCCC1.
What is the InChIKey of [4-(3-fluoroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is USMIGANZAUXNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c17-12-4-3-5-13(10-12)19-14-6-7-18-15(11-14)16(21)20-8-1-2-9-20/h3-7,10-11H,1-2,8-9H2,(H,18,19).
What are the key properties of [4-(3-fluoroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
[4-(3-fluoroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 285.32 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluoroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109203769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).