4-(2-amino-2-oxoethoxy)-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide

C17H16N6O4 — CID 51120286

IUPAC4-(2-amino-2-oxoethoxy)-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCOc1cc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)ccc1OCC(N)=O
InChIInChI=1S/C17H16N6O4/c1-26-13-8-10(5-6-12(13)27-9-14(18)24)16(25)21-17-20-15(22-23-17)11-4-2-3-7-19-11/h2-8H,9H2,1H3,(H2,18,24)(H2,20,21,22,23,25)
InChIKeySLDRSHZAOUVZAA-UHFFFAOYSA-N
MW368.35 g/mol
LogP0.99
Rot. Bonds7

About 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide

4-(2-amino-2-oxoethoxy)-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide (PubChem CID 51120286) has the molecular formula C17H16N6O4 and a molecular weight of 368.35 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
PubChem CID51120286
Molecular FormulaC17H16N6O4
Molecular Weight368.35 g/mol
Exact Mass368.12
IUPAC Name4-(2-amino-2-oxoethoxy)-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCOc1cc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)ccc1OCC(N)=O
InChIInChI=1S/C17H16N6O4/c1-26-13-8-10(5-6-12(13)27-9-14(18)24)16(25)21-17-20-15(22-23-17)11-4-2-3-7-19-11/h2-8H,9H2,1H3,(H2,18,24)(H2,20,21,22,23,25)
InChIKeySLDRSHZAOUVZAA-UHFFFAOYSA-N
XLogP0.99
TPSA145.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide (CID 51120286) is 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide is COc1cc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)ccc1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?
The InChIKey is SLDRSHZAOUVZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O4/c1-26-13-8-10(5-6-12(13)27-9-14(18)24)16(25)21-17-20-15(22-23-17)11-4-2-3-7-19-11/h2-8H,9H2,1H3,(H2,18,24)(H2,20,21,22,23,25).
What are the key properties of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide has a molecular weight of 368.35 g/mol, XLogP of 0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 51120286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).