11-hydroxy-N-phenyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-10-carboxamide

C17H14N4O2 — CID 135433669

IUPAC11-hydroxy-N-phenyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-10-carboxamide
SMILESO=C(Nc1ccccc1)C1=C(O)CCn2c1nc1cccnc12
InChIInChI=1S/C17H14N4O2/c22-13-8-10-21-15-12(7-4-9-18-15)20-16(21)14(13)17(23)19-11-5-2-1-3-6-11/h1-7,9,22H,8,10H2,(H,19,23)
InChIKeyWNEQNMGLXTYNEK-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.74
Rot. Bonds2

About 11-hydroxy-N-phenyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-10-carboxamide

11-hydroxy-N-phenyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-10-carboxamide (PubChem CID 135433669) has the molecular formula C17H14N4O2 and a molecular weight of 306.32 g/mol. Its IUPAC name is 11-hydroxy-N-phenyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-10-carboxamide.

Molecular Properties

Compound Name11-hydroxy-N-phenyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-10-carboxamide
PubChem CID135433669
Molecular FormulaC17H14N4O2
Molecular Weight306.32 g/mol
Exact Mass306.11
IUPAC Name11-hydroxy-N-phenyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-10-carboxamide
SMILESO=C(Nc1ccccc1)C1=C(O)CCn2c1nc1cccnc12
InChIInChI=1S/C17H14N4O2/c22-13-8-10-21-15-12(7-4-9-18-15)20-16(21)14(13)17(23)19-11-5-2-1-3-6-11/h1-7,9,22H,8,10H2,(H,19,23)
InChIKeyWNEQNMGLXTYNEK-UHFFFAOYSA-N
XLogP2.74
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 135958373
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N-(2-chlorophenyl)-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
CID 135508619
3-hydroxy-N-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
CID 135819086
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CID 46389499
ethane;3-methyl-N-phenyl-2-pyrrolidin-1-ylquinoline-4-carboxamide
CID 22146675
1-imidazo[4,5-b]pyridin-3-yl-3-phenylurea
CID 134121029
N-(4-bromophenyl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide
CID 44522159
N-phenyl-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide
CID 46286596
1,3,8,10-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-11-one
CID 137219520
N-phenyl-1-(pyridine-2-carbonyl)benzimidazole-2-carboxamide
CID 23775465
6-chloro-N-(2,6-difluorophenyl)-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
CID 135503730

Frequently Asked Questions

What is the IUPAC name of 11-hydroxy-N-phenyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-10-carboxamide?
The IUPAC name of 11-hydroxy-N-phenyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-10-carboxamide (CID 135433669) is 11-hydroxy-N-phenyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-10-carboxamide.
What is the SMILES notation for 11-hydroxy-N-phenyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-10-carboxamide?
The canonical SMILES for 11-hydroxy-N-phenyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-10-carboxamide is O=C(Nc1ccccc1)C1=C(O)CCn2c1nc1cccnc12.
What is the InChIKey of 11-hydroxy-N-phenyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-10-carboxamide?
The InChIKey is WNEQNMGLXTYNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c22-13-8-10-21-15-12(7-4-9-18-15)20-16(21)14(13)17(23)19-11-5-2-1-3-6-11/h1-7,9,22H,8,10H2,(H,19,23).
What are the key properties of 11-hydroxy-N-phenyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-10-carboxamide?
11-hydroxy-N-phenyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-10-carboxamide has a molecular weight of 306.32 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxy-N-phenyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-10-carboxamide is sourced from PubChem (CID 135433669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).