N-(1-methyl-6-oxopiperidin-3-yl)-1H-indazole-6-carboxamide

C14H16N4O2 — CID 64667250

IUPACN-(1-methyl-6-oxopiperidin-3-yl)-1H-indazole-6-carboxamide
SMILESCN1CC(NC(=O)c2ccc3cn[nH]c3c2)CCC1=O
InChIInChI=1S/C14H16N4O2/c1-18-8-11(4-5-13(18)19)16-14(20)9-2-3-10-7-15-17-12(10)6-9/h2-3,6-7,11H,4-5,8H2,1H3,(H,15,17)(H,16,20)
InChIKeyWJJDYAYNIGMCNL-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.91
Rot. Bonds2

About N-(1-methyl-6-oxopiperidin-3-yl)-1H-indazole-6-carboxamide

N-(1-methyl-6-oxopiperidin-3-yl)-1H-indazole-6-carboxamide (PubChem CID 64667250) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-(1-methyl-6-oxopiperidin-3-yl)-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-6-oxopiperidin-3-yl)-1H-indazole-6-carboxamide
PubChem CID64667250
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-(1-methyl-6-oxopiperidin-3-yl)-1H-indazole-6-carboxamide
SMILESCN1CC(NC(=O)c2ccc3cn[nH]c3c2)CCC1=O
InChIInChI=1S/C14H16N4O2/c1-18-8-11(4-5-13(18)19)16-14(20)9-2-3-10-7-15-17-12(10)6-9/h2-3,6-7,11H,4-5,8H2,1H3,(H,15,17)(H,16,20)
InChIKeyWJJDYAYNIGMCNL-UHFFFAOYSA-N
XLogP0.91
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-6-oxopiperidin-3-yl)-1H-indazole-6-carboxamide?
The IUPAC name of N-(1-methyl-6-oxopiperidin-3-yl)-1H-indazole-6-carboxamide (CID 64667250) is N-(1-methyl-6-oxopiperidin-3-yl)-1H-indazole-6-carboxamide.
What is the SMILES notation for N-(1-methyl-6-oxopiperidin-3-yl)-1H-indazole-6-carboxamide?
The canonical SMILES for N-(1-methyl-6-oxopiperidin-3-yl)-1H-indazole-6-carboxamide is CN1CC(NC(=O)c2ccc3cn[nH]c3c2)CCC1=O.
What is the InChIKey of N-(1-methyl-6-oxopiperidin-3-yl)-1H-indazole-6-carboxamide?
The InChIKey is WJJDYAYNIGMCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-18-8-11(4-5-13(18)19)16-14(20)9-2-3-10-7-15-17-12(10)6-9/h2-3,6-7,11H,4-5,8H2,1H3,(H,15,17)(H,16,20).
What are the key properties of N-(1-methyl-6-oxopiperidin-3-yl)-1H-indazole-6-carboxamide?
N-(1-methyl-6-oxopiperidin-3-yl)-1H-indazole-6-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-6-oxopiperidin-3-yl)-1H-indazole-6-carboxamide is sourced from PubChem (CID 64667250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).