N-(1-acetyl-3-amino-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)benzamide

C15H13N5O3 — CID 135495100

IUPACN-(1-acetyl-3-amino-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
SMILESCC(=O)n1nc(N)c2cc(NC(=O)c3ccccc3)c(=O)[nH]c21
InChIInChI=1S/C15H13N5O3/c1-8(21)20-13-10(12(16)19-20)7-11(15(23)18-13)17-14(22)9-5-3-2-4-6-9/h2-7H,1H3,(H2,16,19)(H,17,22)(H,18,23)
InChIKeyXSZPTLKPPBGXHX-UHFFFAOYSA-N
MW311.30 g/mol
LogP1.22
Rot. Bonds2

About N-(1-acetyl-3-amino-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)benzamide

N-(1-acetyl-3-amino-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)benzamide (PubChem CID 135495100) has the molecular formula C15H13N5O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is N-(1-acetyl-3-amino-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound NameN-(1-acetyl-3-amino-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
PubChem CID135495100
Molecular FormulaC15H13N5O3
Molecular Weight311.30 g/mol
Exact Mass311.10
IUPAC NameN-(1-acetyl-3-amino-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
SMILESCC(=O)n1nc(N)c2cc(NC(=O)c3ccccc3)c(=O)[nH]c21
InChIInChI=1S/C15H13N5O3/c1-8(21)20-13-10(12(16)19-20)7-11(15(23)18-13)17-14(22)9-5-3-2-4-6-9/h2-7H,1H3,(H2,16,19)(H,17,22)(H,18,23)
InChIKeyXSZPTLKPPBGXHX-UHFFFAOYSA-N
XLogP1.22
TPSA122.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
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N-(3-benzamidophenazin-2-yl)benzamide
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N-(20-amino-5,12,17,22,29-pentaoxo-2-azaheptacyclo[16.12.0.03,16.04,13.06,11.021,30.023,28]triaconta-1(30),3,6,8,10,13,15,18,20,23,25,27-dodecaen-14-yl)benzamide
CID 165340131
N-(5,9-dibenzamidotriphenylen-1-yl)benzamide
CID 141408236
N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 155919513
N-(6-butyl-2-oxo-1H-pyridin-3-yl)benzamide
CID 19012358
N-(5-amino-9,10-dioxoanthracen-1-yl)acetamide;N-(5-amino-9,10-dioxoanthracen-1-yl)benzamide
CID 19828301
N-(4-amino-2,5-dihydroxyphenyl)benzamide
CID 21114775
N-(26,35-dibenzamido-2,8,15,24,33,40-hexaoxo-5,43-diazaundecacyclo[23.19.0.03,23.04,20.06,19.07,16.09,14.028,44.029,42.032,41.034,39]tetratetraconta-1(44),3(23),4(20),6(19),7(16),9(14),10,12,17,21,25,27,29(42),30,32(41),34(39),35,37-octadecaen-13-yl)benzamide
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2-[(4-amino-5-benzamido-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate
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N-[2-(methylamino)phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-3-amino-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
The IUPAC name of N-(1-acetyl-3-amino-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)benzamide (CID 135495100) is N-(1-acetyl-3-amino-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)benzamide.
What is the SMILES notation for N-(1-acetyl-3-amino-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
The canonical SMILES for N-(1-acetyl-3-amino-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)benzamide is CC(=O)n1nc(N)c2cc(NC(=O)c3ccccc3)c(=O)[nH]c21.
What is the InChIKey of N-(1-acetyl-3-amino-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
The InChIKey is XSZPTLKPPBGXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O3/c1-8(21)20-13-10(12(16)19-20)7-11(15(23)18-13)17-14(22)9-5-3-2-4-6-9/h2-7H,1H3,(H2,16,19)(H,17,22)(H,18,23).
What are the key properties of N-(1-acetyl-3-amino-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
N-(1-acetyl-3-amino-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)benzamide has a molecular weight of 311.30 g/mol, XLogP of 1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-3-amino-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 135495100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).