azepan-1-yl-[4-(3-fluoroanilino)-2-pyridinyl]methanone

C18H20FN3O — CID 109218603

IUPACazepan-1-yl-[4-(3-fluoroanilino)-2-pyridinyl]methanone
SMILESO=C(c1cc(Nc2cccc(F)c2)ccn1)N1CCCCCC1
InChIInChI=1S/C18H20FN3O/c19-14-6-5-7-15(12-14)21-16-8-9-20-17(13-16)18(23)22-10-3-1-2-4-11-22/h5-9,12-13H,1-4,10-11H2,(H,20,21)
InChIKeyRCUZITPXYJFGHN-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.98
Rot. Bonds3

About azepan-1-yl-[4-(3-fluoroanilino)-2-pyridinyl]methanone

azepan-1-yl-[4-(3-fluoroanilino)-2-pyridinyl]methanone (PubChem CID 109218603) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is azepan-1-yl-[4-(3-fluoroanilino)-2-pyridinyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[4-(3-fluoroanilino)-2-pyridinyl]methanone
PubChem CID109218603
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Nameazepan-1-yl-[4-(3-fluoroanilino)-2-pyridinyl]methanone
SMILESO=C(c1cc(Nc2cccc(F)c2)ccn1)N1CCCCCC1
InChIInChI=1S/C18H20FN3O/c19-14-6-5-7-15(12-14)21-16-8-9-20-17(13-16)18(23)22-10-3-1-2-4-11-22/h5-9,12-13H,1-4,10-11H2,(H,20,21)
InChIKeyRCUZITPXYJFGHN-UHFFFAOYSA-N
XLogP3.98
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-fluoroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203769
azepan-1-yl-[4-(2,4-difluoroanilino)-2-pyridinyl]methanone
CID 109218613
azepan-1-yl-[4-(4-ethylanilino)-2-pyridinyl]methanone
CID 109218552
azepan-1-yl-[4-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]methanone
CID 109218598
methyl 4-[[2-(azepane-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109218594
piperidin-1-yl-[4-(quinolin-8-ylamino)-2-pyridinyl]methanone
CID 109204521
[4-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203723
1-[4-[4-(4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209084
[4-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109203044
1-[4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209061
azepan-1-yl-[4-(tert-butylamino)-2-pyridinyl]methanone
CID 109216956
N-(3-fluorophenyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094901

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[4-(3-fluoroanilino)-2-pyridinyl]methanone?
The IUPAC name of azepan-1-yl-[4-(3-fluoroanilino)-2-pyridinyl]methanone (CID 109218603) is azepan-1-yl-[4-(3-fluoroanilino)-2-pyridinyl]methanone.
What is the SMILES notation for azepan-1-yl-[4-(3-fluoroanilino)-2-pyridinyl]methanone?
The canonical SMILES for azepan-1-yl-[4-(3-fluoroanilino)-2-pyridinyl]methanone is O=C(c1cc(Nc2cccc(F)c2)ccn1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[4-(3-fluoroanilino)-2-pyridinyl]methanone?
The InChIKey is RCUZITPXYJFGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c19-14-6-5-7-15(12-14)21-16-8-9-20-17(13-16)18(23)22-10-3-1-2-4-11-22/h5-9,12-13H,1-4,10-11H2,(H,20,21).
What are the key properties of azepan-1-yl-[4-(3-fluoroanilino)-2-pyridinyl]methanone?
azepan-1-yl-[4-(3-fluoroanilino)-2-pyridinyl]methanone has a molecular weight of 313.38 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[4-(3-fluoroanilino)-2-pyridinyl]methanone is sourced from PubChem (CID 109218603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).