4-(3-oxo-1,2-dihydroindazol-6-yl)-N-pyridin-2-ylbutanamide

C16H16N4O2 — CID 58935896

IUPAC4-(3-oxo-1,2-dihydroindazol-6-yl)-N-pyridin-2-ylbutanamide
SMILESO=C(CCCc1ccc2c(=O)[nH][nH]c2c1)Nc1ccccn1
InChIInChI=1S/C16H16N4O2/c21-15(18-14-5-1-2-9-17-14)6-3-4-11-7-8-12-13(10-11)19-20-16(12)22/h1-2,5,7-10H,3-4,6H2,(H,17,18,21)(H2,19,20,22)
InChIKeyQJDMVIDFMFZLQI-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.21
Rot. Bonds5

About 4-(3-oxo-1,2-dihydroindazol-6-yl)-N-pyridin-2-ylbutanamide

4-(3-oxo-1,2-dihydroindazol-6-yl)-N-pyridin-2-ylbutanamide (PubChem CID 58935896) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-(3-oxo-1,2-dihydroindazol-6-yl)-N-pyridin-2-ylbutanamide.

Molecular Properties

Compound Name4-(3-oxo-1,2-dihydroindazol-6-yl)-N-pyridin-2-ylbutanamide
PubChem CID58935896
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name4-(3-oxo-1,2-dihydroindazol-6-yl)-N-pyridin-2-ylbutanamide
SMILESO=C(CCCc1ccc2c(=O)[nH][nH]c2c1)Nc1ccccn1
InChIInChI=1S/C16H16N4O2/c21-15(18-14-5-1-2-9-17-14)6-3-4-11-7-8-12-13(10-11)19-20-16(12)22/h1-2,5,7-10H,3-4,6H2,(H,17,18,21)(H2,19,20,22)
InChIKeyQJDMVIDFMFZLQI-UHFFFAOYSA-N
XLogP2.21
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-oxo-1,2-dihydroindazol-6-yl)-N-(1,2,4-triazin-3-yl)butanamide
CID 58935824
3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]-N-pyridin-2-ylpropanamide
CID 58935827
3-[(3-oxo-1,2-dihydroindazol-6-yl)oxy]-N-pyridin-2-ylpropanamide
CID 58936040
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
N-pyridin-2-yl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18846778
3-(4-aminophenyl)-N-pyridin-2-ylpropanamide
CID 28713222
molecular hydrogen;N-pyridin-2-ylbutanamide
CID 142960531
6-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylhexanamide
CID 565136
5-oxo-5-phenyl-N-pyridin-2-ylpentanamide
CID 108796237
6-[[3-(pyridin-2-ylamino)cyclohexyl]amino]-1,2-dihydroindazol-3-one
CID 58936101
(Z)-N-pyridin-2-yloctadec-9-enamide
CID 145189388
N-(4-bromo-2-pyridinyl)-4-phenylbutanamide
CID 102674174

Frequently Asked Questions

What is the IUPAC name of 4-(3-oxo-1,2-dihydroindazol-6-yl)-N-pyridin-2-ylbutanamide?
The IUPAC name of 4-(3-oxo-1,2-dihydroindazol-6-yl)-N-pyridin-2-ylbutanamide (CID 58935896) is 4-(3-oxo-1,2-dihydroindazol-6-yl)-N-pyridin-2-ylbutanamide.
What is the SMILES notation for 4-(3-oxo-1,2-dihydroindazol-6-yl)-N-pyridin-2-ylbutanamide?
The canonical SMILES for 4-(3-oxo-1,2-dihydroindazol-6-yl)-N-pyridin-2-ylbutanamide is O=C(CCCc1ccc2c(=O)[nH][nH]c2c1)Nc1ccccn1.
What is the InChIKey of 4-(3-oxo-1,2-dihydroindazol-6-yl)-N-pyridin-2-ylbutanamide?
The InChIKey is QJDMVIDFMFZLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c21-15(18-14-5-1-2-9-17-14)6-3-4-11-7-8-12-13(10-11)19-20-16(12)22/h1-2,5,7-10H,3-4,6H2,(H,17,18,21)(H2,19,20,22).
What are the key properties of 4-(3-oxo-1,2-dihydroindazol-6-yl)-N-pyridin-2-ylbutanamide?
4-(3-oxo-1,2-dihydroindazol-6-yl)-N-pyridin-2-ylbutanamide has a molecular weight of 296.33 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxo-1,2-dihydroindazol-6-yl)-N-pyridin-2-ylbutanamide is sourced from PubChem (CID 58935896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).