N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C16H16N6O3 — CID 136666510

IUPACN-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(NCc1nc(-c2ccc[nH]c2=O)no1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C16H16N6O3/c23-15-10(5-3-7-17-15)14-19-12(25-22-14)8-18-16(24)13-9-4-1-2-6-11(9)20-21-13/h3,5,7H,1-2,4,6,8H2,(H,17,23)(H,18,24)(H,20,21)
InChIKeyFKTFJGLTGNTRSE-UHFFFAOYSA-N
MW340.34 g/mol
LogP0.96
Rot. Bonds4

About N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 136666510) has the molecular formula C16H16N6O3 and a molecular weight of 340.34 g/mol. Its IUPAC name is N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID136666510
Molecular FormulaC16H16N6O3
Molecular Weight340.34 g/mol
Exact Mass340.13
IUPAC NameN-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(NCc1nc(-c2ccc[nH]c2=O)no1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C16H16N6O3/c23-15-10(5-3-7-17-15)14-19-12(25-22-14)8-18-16(24)13-9-4-1-2-6-11(9)20-21-13/h3,5,7H,1-2,4,6,8H2,(H,17,23)(H,18,24)(H,20,21)
InChIKeyFKTFJGLTGNTRSE-UHFFFAOYSA-N
XLogP0.96
TPSA129.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide with MolForge

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Related Compounds

N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-5-carboxamide
CID 136967128
N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]isoquinoline-1-carboxamide
CID 137092972
N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide
CID 136666477
5-methyl-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide
CID 137092974
N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3H-benzimidazole-5-carboxamide
CID 136666454
3-chloro-4-fluoro-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 136666497
N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 136962336
3-fluoro-4-methoxy-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 136666505
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(2-oxo-1H-pyridin-3-yl)benzamide
CID 118765312
N-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112820541
2-(6-oxopyridazin-1-yl)-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 136666488
7-methoxy-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-benzofuran-2-carboxamide
CID 136666450

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 136666510) is N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is O=C(NCc1nc(-c2ccc[nH]c2=O)no1)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is FKTFJGLTGNTRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3/c23-15-10(5-3-7-17-15)14-19-12(25-22-14)8-18-16(24)13-9-4-1-2-6-11(9)20-21-13/h3,5,7H,1-2,4,6,8H2,(H,17,23)(H,18,24)(H,20,21).
What are the key properties of N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 340.34 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 136666510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).