3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]-N-pyridin-2-ylpropanamide

C15H14N4O3 — CID 58936040

IUPAC3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]-N-pyridin-2-ylpropanamide
SMILESO=C(CCOc1ccc2c(=O)[nH][nH]c2c1)Nc1ccccn1
InChIInChI=1S/C15H14N4O3/c20-14(17-13-3-1-2-7-16-13)6-8-22-10-4-5-11-12(9-10)18-19-15(11)21/h1-5,7,9H,6,8H2,(H,16,17,20)(H2,18,19,21)
InChIKeySXPJCDBAVSINCZ-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.66
Rot. Bonds5

About 3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]-N-pyridin-2-ylpropanamide

3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]-N-pyridin-2-ylpropanamide (PubChem CID 58936040) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]-N-pyridin-2-ylpropanamide
PubChem CID58936040
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]-N-pyridin-2-ylpropanamide
SMILESO=C(CCOc1ccc2c(=O)[nH][nH]c2c1)Nc1ccccn1
InChIInChI=1S/C15H14N4O3/c20-14(17-13-3-1-2-7-16-13)6-8-22-10-4-5-11-12(9-10)18-19-15(11)21/h1-5,7,9H,6,8H2,(H,16,17,20)(H2,18,19,21)
InChIKeySXPJCDBAVSINCZ-UHFFFAOYSA-N
XLogP1.66
TPSA99.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]-N-pyridin-2-ylpropanamide
CID 58935827
4-(3-oxo-1,2-dihydroindazol-6-yl)-N-pyridin-2-ylbutanamide
CID 58935896
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-phenoxypropanamide
CID 110734418
molecular hydrogen;N-pyridin-2-ylbutanamide
CID 142960531
6-[[3-(pyridin-2-ylamino)cyclohexyl]amino]-1,2-dihydroindazol-3-one
CID 58936101
3-phenoxy-N-(5-propyl-1H-pyrazol-3-yl)propanamide
CID 115621117
3-(4-fluorophenoxy)-N-(4-methyl-2-pyridinyl)propanamide
CID 47351806
2-(4-chloro-3-methylphenoxy)-N-pyridin-2-ylacetamide
CID 883765
3-[5-[3-(pyridin-2-ylamino)propoxy]-1H-indol-2-yl]propanoic acid
CID 22570254
azane;3-[5-[3-(pyridin-2-ylamino)propoxy]-1H-indol-2-yl]propanoic acid
CID 66819216
2-(4-ethoxyphenyl)-N-pyridin-2-ylacetamide
CID 17458735

Frequently Asked Questions

What is the IUPAC name of 3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]-N-pyridin-2-ylpropanamide?
The IUPAC name of 3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]-N-pyridin-2-ylpropanamide (CID 58936040) is 3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]-N-pyridin-2-ylpropanamide?
The canonical SMILES for 3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]-N-pyridin-2-ylpropanamide is O=C(CCOc1ccc2c(=O)[nH][nH]c2c1)Nc1ccccn1.
What is the InChIKey of 3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]-N-pyridin-2-ylpropanamide?
The InChIKey is SXPJCDBAVSINCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c20-14(17-13-3-1-2-7-16-13)6-8-22-10-4-5-11-12(9-10)18-19-15(11)21/h1-5,7,9H,6,8H2,(H,16,17,20)(H2,18,19,21).
What are the key properties of 3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]-N-pyridin-2-ylpropanamide?
3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]-N-pyridin-2-ylpropanamide has a molecular weight of 298.30 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 58936040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).