9-hydroxy-11-oxo-N-(pyridin-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide

C18H15N3O3 — CID 54682375

IUPAC9-hydroxy-11-oxo-N-(pyridin-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
SMILESO=C(NCc1ccccn1)c1c(O)c2cccc3c2n(c1=O)CC3
InChIInChI=1S/C18H15N3O3/c22-16-13-6-3-4-11-7-9-21(15(11)13)18(24)14(16)17(23)20-10-12-5-1-2-8-19-12/h1-6,8,22H,7,9-10H2,(H,20,23)
InChIKeyWKNIIUHSPCJVCQ-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.59
Rot. Bonds3

About 9-hydroxy-11-oxo-N-(pyridin-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide

9-hydroxy-11-oxo-N-(pyridin-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide (PubChem CID 54682375) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 9-hydroxy-11-oxo-N-(pyridin-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide.

Molecular Properties

Compound Name9-hydroxy-11-oxo-N-(pyridin-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
PubChem CID54682375
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name9-hydroxy-11-oxo-N-(pyridin-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
SMILESO=C(NCc1ccccn1)c1c(O)c2cccc3c2n(c1=O)CC3
InChIInChI=1S/C18H15N3O3/c22-16-13-6-3-4-11-7-9-21(15(11)13)18(24)14(16)17(23)20-10-12-5-1-2-8-19-12/h1-6,8,22H,7,9-10H2,(H,20,23)
InChIKeyWKNIIUHSPCJVCQ-UHFFFAOYSA-N
XLogP1.59
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Gsk-364735
CID 54718859
6-Hydroxy-4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-5-carboxylic acid pyridin-3-ylamide
CID 54678166
7-[(4-fluorophenyl)methyl]-4-hydroxy-N,1-dimethyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 54729990
N-(2,2-difluoroethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 58882896
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 69482466
4-hydroxy-1-methyl-2-oxo-N-(pyridin-4-yl)-1,2-dihydroquinoline-3-carboxamide
CID 54684726
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-isopropyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 57395697
9-fluoro-1-hydroxy-5-methyl-3-oxo-N-(pyridin-3-ylmethyl)-3,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carboxamide
CID 54679465
N-(4-fluorobenzyl)4-hydroxy-2-oxo-1,2-dihydro-1,5-naphthyridine-3-carboxamide
CID 54690727
N-Cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,2-dihydro-1,5-naphthyridine-3-carboxamide
CID 54690871
7-[(4-Fluorophenyl)methyl]-4-hydroxy-2-oxo-n-[3-(2-oxo-1-pyrrolidinyl)propyl]-1,2-dihydro-1,5-naphthyridine-3-carboxamide
CID 54698986
7-benzyl-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-11-oxo-N-(pyridin-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide?
The IUPAC name of 9-hydroxy-11-oxo-N-(pyridin-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide (CID 54682375) is 9-hydroxy-11-oxo-N-(pyridin-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide.
What is the SMILES notation for 9-hydroxy-11-oxo-N-(pyridin-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide?
The canonical SMILES for 9-hydroxy-11-oxo-N-(pyridin-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide is O=C(NCc1ccccn1)c1c(O)c2cccc3c2n(c1=O)CC3.
What is the InChIKey of 9-hydroxy-11-oxo-N-(pyridin-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide?
The InChIKey is WKNIIUHSPCJVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c22-16-13-6-3-4-11-7-9-21(15(11)13)18(24)14(16)17(23)20-10-12-5-1-2-8-19-12/h1-6,8,22H,7,9-10H2,(H,20,23).
What are the key properties of 9-hydroxy-11-oxo-N-(pyridin-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide?
9-hydroxy-11-oxo-N-(pyridin-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-11-oxo-N-(pyridin-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide is sourced from PubChem (CID 54682375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).