N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-(2-methoxyphenoxy)acetamide

C21H23N5O4 — CID 121116474

IUPACN-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCCn1nc(-c2cccnc2)n(C2CC2)c1=O
InChIInChI=1S/C21H23N5O4/c1-29-17-6-2-3-7-18(17)30-14-19(27)23-11-12-25-21(28)26(16-8-9-16)20(24-25)15-5-4-10-22-13-15/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,23,27)
InChIKeyBXMCFYJADBXYNQ-UHFFFAOYSA-N
MW409.45 g/mol
LogP1.65
Rot. Bonds9

About N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-(2-methoxyphenoxy)acetamide

N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 121116474) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID121116474
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC NameN-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCCn1nc(-c2cccnc2)n(C2CC2)c1=O
InChIInChI=1S/C21H23N5O4/c1-29-17-6-2-3-7-18(17)30-14-19(27)23-11-12-25-21(28)26(16-8-9-16)20(24-25)15-5-4-10-22-13-15/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,23,27)
InChIKeyBXMCFYJADBXYNQ-UHFFFAOYSA-N
XLogP1.65
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-(2-methoxyphenoxy)acetamide (CID 121116474) is N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)NCCn1nc(-c2cccnc2)n(C2CC2)c1=O.
What is the InChIKey of N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is BXMCFYJADBXYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-29-17-6-2-3-7-18(17)30-14-19(27)23-11-12-25-21(28)26(16-8-9-16)20(24-25)15-5-4-10-22-13-15/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,23,27).
What are the key properties of N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-(2-methoxyphenoxy)acetamide?
N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 409.45 g/mol, XLogP of 1.65, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 121116474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).