7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide

C20H18FN3O3 — CID 54698965

IUPAC7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
SMILESCC1CCc2cc(F)cc3c(O)c(C(=O)NCc4ccncc4)c(=O)n1c23
InChIInChI=1S/C20H18FN3O3/c1-11-2-3-13-8-14(21)9-15-17(13)24(11)20(27)16(18(15)25)19(26)23-10-12-4-6-22-7-5-12/h4-9,11,25H,2-3,10H2,1H3,(H,23,26)
InChIKeyXBZYVYXPWKSSJF-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.68
Rot. Bonds3

About 7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide

7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide (PubChem CID 54698965) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
PubChem CID54698965
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
SMILESCC1CCc2cc(F)cc3c(O)c(C(=O)NCc4ccncc4)c(=O)n1c23
InChIInChI=1S/C20H18FN3O3/c1-11-2-3-13-8-14(21)9-15-17(13)24(11)20(27)16(18(15)25)19(26)23-10-12-4-6-22-7-5-12/h4-9,11,25H,2-3,10H2,1H3,(H,23,26)
InChIKeyXBZYVYXPWKSSJF-UHFFFAOYSA-N
XLogP2.68
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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7-[(4-fluorophenyl)methyl]-4-hydroxy-N,1-dimethyl-2-oxo-1,5-naphthyridine-3-carboxamide
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N-(2,2-difluoroethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
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CID 69481025
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CID 69482466
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1-Hydroxy-3-oxo-6,7-dihydro-3H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid pyridin-2-ylamide
CID 54683759
N-Cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,2-dihydro-1,5-naphthyridine-3-carboxamide
CID 54690871
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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The IUPAC name of 7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide (CID 54698965) is 7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide.
What is the SMILES notation for 7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The canonical SMILES for 7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide is CC1CCc2cc(F)cc3c(O)c(C(=O)NCc4ccncc4)c(=O)n1c23.
What is the InChIKey of 7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The InChIKey is XBZYVYXPWKSSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-11-2-3-13-8-14(21)9-15-17(13)24(11)20(27)16(18(15)25)19(26)23-10-12-4-6-22-7-5-12/h4-9,11,25H,2-3,10H2,1H3,(H,23,26).
What are the key properties of 7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide is sourced from PubChem (CID 54698965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).