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

C21H20FN3O3 — CID 151485696

IUPAC7-fluoro-4-hydroxy-12-methyl-N-[(4-methyl-3-pyridinyl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
SMILESCc1ccncc1CNC(=O)c1c(O)c2cc(F)cc3c2n(c1=O)C(C)CC3
InChIInChI=1S/C21H20FN3O3/c1-11-5-6-23-9-14(11)10-24-20(27)17-19(26)16-8-15(22)7-13-4-3-12(2)25(18(13)16)21(17)28/h5-9,12,26H,3-4,10H2,1-2H3,(H,24,27)
InChIKeyPNKFIZDBDDKBQI-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.99
Rot. Bonds3

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

7-fluoro-4-hydroxy-12-methyl-N-[(4-methyl-3-pyridinyl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide (PubChem CID 151485696) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 7-fluoro-4-hydroxy-12-methyl-N-[(4-methyl-3-pyridinyl)methyl]-2-oxo-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-N-[(4-methyl-3-pyridinyl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
PubChem CID151485696
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name7-fluoro-4-hydroxy-12-methyl-N-[(4-methyl-3-pyridinyl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
SMILESCc1ccncc1CNC(=O)c1c(O)c2cc(F)cc3c2n(c1=O)C(C)CC3
InChIInChI=1S/C21H20FN3O3/c1-11-5-6-23-9-14(11)10-24-20(27)17-19(26)16-8-15(22)7-13-4-3-12(2)25(18(13)16)21(17)28/h5-9,12,26H,3-4,10H2,1-2H3,(H,24,27)
InChIKeyPNKFIZDBDDKBQI-UHFFFAOYSA-N
XLogP2.99
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-hydroxy-12-methyl-N-[(4-methyl-3-pyridinyl)methyl]-2-oxo-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-N-[(4-methyl-3-pyridinyl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide (CID 151485696) is 7-fluoro-4-hydroxy-12-methyl-N-[(4-methyl-3-pyridinyl)methyl]-2-oxo-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-N-[(4-methyl-3-pyridinyl)methyl]-2-oxo-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-N-[(4-methyl-3-pyridinyl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide is Cc1ccncc1CNC(=O)c1c(O)c2cc(F)cc3c2n(c1=O)C(C)CC3.
What is the InChIKey of 7-fluoro-4-hydroxy-12-methyl-N-[(4-methyl-3-pyridinyl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The InChIKey is PNKFIZDBDDKBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-11-5-6-23-9-14(11)10-24-20(27)17-19(26)16-8-15(22)7-13-4-3-12(2)25(18(13)16)21(17)28/h5-9,12,26H,3-4,10H2,1-2H3,(H,24,27).
What are the key properties of 7-fluoro-4-hydroxy-12-methyl-N-[(4-methyl-3-pyridinyl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
7-fluoro-4-hydroxy-12-methyl-N-[(4-methyl-3-pyridinyl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 2.99, 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-N-[(4-methyl-3-pyridinyl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide is sourced from PubChem (CID 151485696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).