4-hydroxy-N-(6-methyl-2-pyridinyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide

C19H17N3O3 — CID 54690400

IUPAC4-hydroxy-N-(6-methyl-2-pyridinyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
SMILESCc1cccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CCC4)n1
InChIInChI=1S/C19H17N3O3/c1-11-5-2-9-14(20-11)21-18(24)15-17(23)13-8-3-6-12-7-4-10-22(16(12)13)19(15)25/h2-3,5-6,8-9,23H,4,7,10H2,1H3,(H,20,21,24)
InChIKeyCYZRFSZXRLCZAT-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.61
Rot. Bonds2

About 4-hydroxy-N-(6-methyl-2-pyridinyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide

4-hydroxy-N-(6-methyl-2-pyridinyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide (PubChem CID 54690400) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-hydroxy-N-(6-methyl-2-pyridinyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(6-methyl-2-pyridinyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
PubChem CID54690400
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name4-hydroxy-N-(6-methyl-2-pyridinyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
SMILESCc1cccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CCC4)n1
InChIInChI=1S/C19H17N3O3/c1-11-5-2-9-14(20-11)21-18(24)15-17(23)13-8-3-6-12-7-4-10-22(16(12)13)19(15)25/h2-3,5-6,8-9,23H,4,7,10H2,1H3,(H,20,21,24)
InChIKeyCYZRFSZXRLCZAT-UHFFFAOYSA-N
XLogP2.61
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(6-methyl-2-pyridinyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(6-methyl-2-pyridinyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide (CID 54690400) is 4-hydroxy-N-(6-methyl-2-pyridinyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(6-methyl-2-pyridinyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(6-methyl-2-pyridinyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide is Cc1cccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CCC4)n1.
What is the InChIKey of 4-hydroxy-N-(6-methyl-2-pyridinyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The InChIKey is CYZRFSZXRLCZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-11-5-2-9-14(20-11)21-18(24)15-17(23)13-8-3-6-12-7-4-10-22(16(12)13)19(15)25/h2-3,5-6,8-9,23H,4,7,10H2,1H3,(H,20,21,24).
What are the key properties of 4-hydroxy-N-(6-methyl-2-pyridinyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
4-hydroxy-N-(6-methyl-2-pyridinyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(6-methyl-2-pyridinyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide is sourced from PubChem (CID 54690400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).