N-(azetidin-3-yl)-2-[(5-hydroxy-1-methylindazol-3-yl)amino]acetamide

C13H17N5O2 — CID 70641781

IUPACN-(azetidin-3-yl)-2-[(5-hydroxy-1-methylindazol-3-yl)amino]acetamide
SMILESCn1nc(NCC(=O)NC2CNC2)c2cc(O)ccc21
InChIInChI=1S/C13H17N5O2/c1-18-11-3-2-9(19)4-10(11)13(17-18)15-7-12(20)16-8-5-14-6-8/h2-4,8,14,19H,5-7H2,1H3,(H,15,17)(H,16,20)
InChIKeyISMOWKNCZFHQJT-UHFFFAOYSA-N
MW275.31 g/mol
LogP-0.22
Rot. Bonds4

About N-(azetidin-3-yl)-2-[(5-hydroxy-1-methylindazol-3-yl)amino]acetamide

N-(azetidin-3-yl)-2-[(5-hydroxy-1-methylindazol-3-yl)amino]acetamide (PubChem CID 70641781) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-[(5-hydroxy-1-methylindazol-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2-[(5-hydroxy-1-methylindazol-3-yl)amino]acetamide
PubChem CID70641781
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-(azetidin-3-yl)-2-[(5-hydroxy-1-methylindazol-3-yl)amino]acetamide
SMILESCn1nc(NCC(=O)NC2CNC2)c2cc(O)ccc21
InChIInChI=1S/C13H17N5O2/c1-18-11-3-2-9(19)4-10(11)13(17-18)15-7-12(20)16-8-5-14-6-8/h2-4,8,14,19H,5-7H2,1H3,(H,15,17)(H,16,20)
InChIKeyISMOWKNCZFHQJT-UHFFFAOYSA-N
XLogP-0.22
TPSA91.21 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2-[(5-hydroxy-1-methylindazol-3-yl)amino]acetamide?
The IUPAC name of N-(azetidin-3-yl)-2-[(5-hydroxy-1-methylindazol-3-yl)amino]acetamide (CID 70641781) is N-(azetidin-3-yl)-2-[(5-hydroxy-1-methylindazol-3-yl)amino]acetamide.
What is the SMILES notation for N-(azetidin-3-yl)-2-[(5-hydroxy-1-methylindazol-3-yl)amino]acetamide?
The canonical SMILES for N-(azetidin-3-yl)-2-[(5-hydroxy-1-methylindazol-3-yl)amino]acetamide is Cn1nc(NCC(=O)NC2CNC2)c2cc(O)ccc21.
What is the InChIKey of N-(azetidin-3-yl)-2-[(5-hydroxy-1-methylindazol-3-yl)amino]acetamide?
The InChIKey is ISMOWKNCZFHQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-18-11-3-2-9(19)4-10(11)13(17-18)15-7-12(20)16-8-5-14-6-8/h2-4,8,14,19H,5-7H2,1H3,(H,15,17)(H,16,20).
What are the key properties of N-(azetidin-3-yl)-2-[(5-hydroxy-1-methylindazol-3-yl)amino]acetamide?
N-(azetidin-3-yl)-2-[(5-hydroxy-1-methylindazol-3-yl)amino]acetamide has a molecular weight of 275.31 g/mol, XLogP of -0.22, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2-[(5-hydroxy-1-methylindazol-3-yl)amino]acetamide is sourced from PubChem (CID 70641781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).