2-(10-oxo-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)-N-pyridin-3-ylacetamide

C15H11N7O2 — CID 71704968

IUPAC2-(10-oxo-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)-N-pyridin-3-ylacetamide
SMILESO=C(Cn1ccc2c(nnc3ccnn32)c1=O)Nc1cccnc1
InChIInChI=1S/C15H11N7O2/c23-13(18-10-2-1-5-16-8-10)9-21-7-4-11-14(15(21)24)20-19-12-3-6-17-22(11)12/h1-8H,9H2,(H,18,23)
InChIKeyATXLTSSFGXWAGC-UHFFFAOYSA-N
MW321.30 g/mol
LogP0.47
Rot. Bonds3

About 2-(10-oxo-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)-N-pyridin-3-ylacetamide

2-(10-oxo-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)-N-pyridin-3-ylacetamide (PubChem CID 71704968) has the molecular formula C15H11N7O2 and a molecular weight of 321.30 g/mol. Its IUPAC name is 2-(10-oxo-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(10-oxo-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)-N-pyridin-3-ylacetamide
PubChem CID71704968
Molecular FormulaC15H11N7O2
Molecular Weight321.30 g/mol
Exact Mass321.10
IUPAC Name2-(10-oxo-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)-N-pyridin-3-ylacetamide
SMILESO=C(Cn1ccc2c(nnc3ccnn32)c1=O)Nc1cccnc1
InChIInChI=1S/C15H11N7O2/c23-13(18-10-2-1-5-16-8-10)9-21-7-4-11-14(15(21)24)20-19-12-3-6-17-22(11)12/h1-8H,9H2,(H,18,23)
InChIKeyATXLTSSFGXWAGC-UHFFFAOYSA-N
XLogP0.47
TPSA107.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(10-oxo-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)-N-pyridin-3-ylacetamide with MolForge

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Related Compounds

2-(5-chloroindol-1-yl)-N-pyridin-3-ylacetamide
CID 39341577
2-morpholin-4-yl-N-pyridin-3-ylacetamide
CID 124786353
3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-pyridin-3-ylpropanamide
CID 20903918
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
2-(4,4-dimethylpiperidin-1-yl)-N-pyridin-3-ylacetamide
CID 90951013
2-(2-oxo-1,3-benzothiazol-3-yl)-N-pyridin-3-ylacetamide
CID 22423087
3-(5-methylthiophen-2-yl)-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]propanamide
CID 166212586
2-cyclopropyl-N-pyridin-3-ylacetamide
CID 131129634
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylacetamide
CID 4906968
2-[2-(pyridin-3-ylcarbamoyl)pyrrol-1-yl]acetic acid
CID 79325142
2-piperazin-1-yl-N-pyridin-3-ylacetamide;hydrochloride
CID 156595313
2-(4-acetamidotriazol-1-yl)-N-pyridin-3-ylacetamide
CID 112524098

Frequently Asked Questions

What is the IUPAC name of 2-(10-oxo-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(10-oxo-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)-N-pyridin-3-ylacetamide (CID 71704968) is 2-(10-oxo-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(10-oxo-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(10-oxo-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)-N-pyridin-3-ylacetamide is O=C(Cn1ccc2c(nnc3ccnn32)c1=O)Nc1cccnc1.
What is the InChIKey of 2-(10-oxo-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)-N-pyridin-3-ylacetamide?
The InChIKey is ATXLTSSFGXWAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N7O2/c23-13(18-10-2-1-5-16-8-10)9-21-7-4-11-14(15(21)24)20-19-12-3-6-17-22(11)12/h1-8H,9H2,(H,18,23).
What are the key properties of 2-(10-oxo-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)-N-pyridin-3-ylacetamide?
2-(10-oxo-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)-N-pyridin-3-ylacetamide has a molecular weight of 321.30 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-oxo-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)-N-pyridin-3-ylacetamide is sourced from PubChem (CID 71704968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).