N-[2,3-dihydroxy-3-(1H-pyrazolo[4,5-b]pyridin-6-yl)propyl]acetamide

C11H14N4O3 — CID 170830236

IUPACN-[2,3-dihydroxy-3-(1H-pyrazolo[4,5-b]pyridin-6-yl)propyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cnc2cn[nH]c2c1
InChIInChI=1S/C11H14N4O3/c1-6(16)12-5-10(17)11(18)7-2-8-9(13-3-7)4-14-15-8/h2-4,10-11,17-18H,5H2,1H3,(H,12,16)(H,14,15)
InChIKeyBSZSTNUFQXLWRU-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.51
Rot. Bonds4

About N-[2,3-dihydroxy-3-(1H-pyrazolo[4,5-b]pyridin-6-yl)propyl]acetamide

N-[2,3-dihydroxy-3-(1H-pyrazolo[4,5-b]pyridin-6-yl)propyl]acetamide (PubChem CID 170830236) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is N-[2,3-dihydroxy-3-(1H-pyrazolo[4,5-b]pyridin-6-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[2,3-dihydroxy-3-(1H-pyrazolo[4,5-b]pyridin-6-yl)propyl]acetamide
PubChem CID170830236
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC NameN-[2,3-dihydroxy-3-(1H-pyrazolo[4,5-b]pyridin-6-yl)propyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cnc2cn[nH]c2c1
InChIInChI=1S/C11H14N4O3/c1-6(16)12-5-10(17)11(18)7-2-8-9(13-3-7)4-14-15-8/h2-4,10-11,17-18H,5H2,1H3,(H,12,16)(H,14,15)
InChIKeyBSZSTNUFQXLWRU-UHFFFAOYSA-N
XLogP-0.51
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3,4-dihydroxy-4-(1H-pyrazolo[4,5-b]pyridin-6-yl)butyl]acetamide
CID 171883227
S-[3,4-dihydroxy-4-(1H-pyrazolo[4,5-b]pyridin-6-yl)butyl] ethanethioate
CID 171876062
N-[2,3-dihydroxy-3-(6-methyl-3-pyridinyl)propyl]acetamide
CID 170829544
N-[3-(5-amino-6-chloro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170829700
N-(2,3-dihydroxy-3-pyrimidin-5-ylpropyl)acetamide
CID 170829458
N-[3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide
CID 170829471
N-[3-(5-bromo-3-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170831115
N-[3-(5-cyano-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide
CID 170829570
N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-3-pyridinyl]propyl]acetamide
CID 170830460
methyl 5-(3-acetamido-1,2-dihydroxypropyl)pyridine-3-carboxylate
CID 170830510
N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propyl]acetamide
CID 170830021
N-[3-(4-aminophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829554

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydroxy-3-(1H-pyrazolo[4,5-b]pyridin-6-yl)propyl]acetamide?
The IUPAC name of N-[2,3-dihydroxy-3-(1H-pyrazolo[4,5-b]pyridin-6-yl)propyl]acetamide (CID 170830236) is N-[2,3-dihydroxy-3-(1H-pyrazolo[4,5-b]pyridin-6-yl)propyl]acetamide.
What is the SMILES notation for N-[2,3-dihydroxy-3-(1H-pyrazolo[4,5-b]pyridin-6-yl)propyl]acetamide?
The canonical SMILES for N-[2,3-dihydroxy-3-(1H-pyrazolo[4,5-b]pyridin-6-yl)propyl]acetamide is CC(=O)NCC(O)C(O)c1cnc2cn[nH]c2c1.
What is the InChIKey of N-[2,3-dihydroxy-3-(1H-pyrazolo[4,5-b]pyridin-6-yl)propyl]acetamide?
The InChIKey is BSZSTNUFQXLWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-6(16)12-5-10(17)11(18)7-2-8-9(13-3-7)4-14-15-8/h2-4,10-11,17-18H,5H2,1H3,(H,12,16)(H,14,15).
What are the key properties of N-[2,3-dihydroxy-3-(1H-pyrazolo[4,5-b]pyridin-6-yl)propyl]acetamide?
N-[2,3-dihydroxy-3-(1H-pyrazolo[4,5-b]pyridin-6-yl)propyl]acetamide has a molecular weight of 250.26 g/mol, XLogP of -0.51, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydroxy-3-(1H-pyrazolo[4,5-b]pyridin-6-yl)propyl]acetamide is sourced from PubChem (CID 170830236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).