2-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)oxane-3-carboxamide

C14H21N3O2 — CID 138043861

IUPAC2-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)oxane-3-carboxamide
SMILESCC1OCCCC1C(=O)NC1CCCc2cn[nH]c21
InChIInChI=1S/C14H21N3O2/c1-9-11(5-3-7-19-9)14(18)16-12-6-2-4-10-8-15-17-13(10)12/h8-9,11-12H,2-7H2,1H3,(H,15,17)(H,16,18)
InChIKeyXZXHSAFLGOCPTN-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.72
Rot. Bonds2

About 2-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)oxane-3-carboxamide

2-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)oxane-3-carboxamide (PubChem CID 138043861) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)oxane-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)oxane-3-carboxamide
PubChem CID138043861
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)oxane-3-carboxamide
SMILESCC1OCCCC1C(=O)NC1CCCc2cn[nH]c21
InChIInChI=1S/C14H21N3O2/c1-9-11(5-3-7-19-9)14(18)16-12-6-2-4-10-8-15-17-13(10)12/h8-9,11-12H,2-7H2,1H3,(H,15,17)(H,16,18)
InChIKeyXZXHSAFLGOCPTN-UHFFFAOYSA-N
XLogP1.72
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)oxane-3-carboxamide?
The IUPAC name of 2-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)oxane-3-carboxamide (CID 138043861) is 2-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)oxane-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)oxane-3-carboxamide?
The canonical SMILES for 2-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)oxane-3-carboxamide is CC1OCCCC1C(=O)NC1CCCc2cn[nH]c21.
What is the InChIKey of 2-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)oxane-3-carboxamide?
The InChIKey is XZXHSAFLGOCPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9-11(5-3-7-19-9)14(18)16-12-6-2-4-10-8-15-17-13(10)12/h8-9,11-12H,2-7H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 2-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)oxane-3-carboxamide?
2-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)oxane-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)oxane-3-carboxamide is sourced from PubChem (CID 138043861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).