3-(3-amino-1H-indazol-5-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]benzamide

C20H21N5O3 — CID 122558701

IUPAC3-(3-amino-1H-indazol-5-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]benzamide
SMILESNc1n[nH]c2ccc(-c3cccc(C(=O)NCCN4CCCOC4=O)c3)cc12
InChIInChI=1S/C20H21N5O3/c21-18-16-12-14(5-6-17(16)23-24-18)13-3-1-4-15(11-13)19(26)22-7-9-25-8-2-10-28-20(25)27/h1,3-6,11-12H,2,7-10H2,(H,22,26)(H3,21,23,24)
InChIKeyKTXXVWQJPVGCLY-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.38
Rot. Bonds5

About 3-(3-amino-1H-indazol-5-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]benzamide

3-(3-amino-1H-indazol-5-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]benzamide (PubChem CID 122558701) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 3-(3-amino-1H-indazol-5-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(3-amino-1H-indazol-5-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]benzamide
PubChem CID122558701
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name3-(3-amino-1H-indazol-5-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]benzamide
SMILESNc1n[nH]c2ccc(-c3cccc(C(=O)NCCN4CCCOC4=O)c3)cc12
InChIInChI=1S/C20H21N5O3/c21-18-16-12-14(5-6-17(16)23-24-18)13-3-1-4-15(11-13)19(26)22-7-9-25-8-2-10-28-20(25)27/h1,3-6,11-12H,2,7-10H2,(H,22,26)(H3,21,23,24)
InChIKeyKTXXVWQJPVGCLY-UHFFFAOYSA-N
XLogP2.38
TPSA113.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-1H-indazol-5-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]benzamide?
The IUPAC name of 3-(3-amino-1H-indazol-5-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]benzamide (CID 122558701) is 3-(3-amino-1H-indazol-5-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-(3-amino-1H-indazol-5-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]benzamide?
The canonical SMILES for 3-(3-amino-1H-indazol-5-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]benzamide is Nc1n[nH]c2ccc(-c3cccc(C(=O)NCCN4CCCOC4=O)c3)cc12.
What is the InChIKey of 3-(3-amino-1H-indazol-5-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]benzamide?
The InChIKey is KTXXVWQJPVGCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c21-18-16-12-14(5-6-17(16)23-24-18)13-3-1-4-15(11-13)19(26)22-7-9-25-8-2-10-28-20(25)27/h1,3-6,11-12H,2,7-10H2,(H,22,26)(H3,21,23,24).
What are the key properties of 3-(3-amino-1H-indazol-5-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]benzamide?
3-(3-amino-1H-indazol-5-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]benzamide has a molecular weight of 379.42 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-1H-indazol-5-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]benzamide is sourced from PubChem (CID 122558701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).