4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide

C25H22N6O2 — CID 122431362

IUPAC4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccnc(C)c2)nc2cc(C(=O)NCc3ccc4ncnn4c3)ccc12
InChIInChI=1S/C25H22N6O2/c1-3-33-23-12-21(18-8-9-26-16(2)10-18)30-22-11-19(5-6-20(22)23)25(32)27-13-17-4-7-24-28-15-29-31(24)14-17/h4-12,14-15H,3,13H2,1-2H3,(H,27,32)
InChIKeyLOPARYPXWAOAMP-UHFFFAOYSA-N
MW438.49 g/mol
LogP3.98
Rot. Bonds6

About 4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide

4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide (PubChem CID 122431362) has the molecular formula C25H22N6O2 and a molecular weight of 438.49 g/mol. Its IUPAC name is 4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide
PubChem CID122431362
Molecular FormulaC25H22N6O2
Molecular Weight438.49 g/mol
Exact Mass438.18
IUPAC Name4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccnc(C)c2)nc2cc(C(=O)NCc3ccc4ncnn4c3)ccc12
InChIInChI=1S/C25H22N6O2/c1-3-33-23-12-21(18-8-9-26-16(2)10-18)30-22-11-19(5-6-20(22)23)25(32)27-13-17-4-7-24-28-15-29-31(24)14-17/h4-12,14-15H,3,13H2,1-2H3,(H,27,32)
InChIKeyLOPARYPXWAOAMP-UHFFFAOYSA-N
XLogP3.98
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide (CID 122431362) is 4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide is CCOc1cc(-c2ccnc(C)c2)nc2cc(C(=O)NCc3ccc4ncnn4c3)ccc12.
What is the InChIKey of 4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide?
The InChIKey is LOPARYPXWAOAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2/c1-3-33-23-12-21(18-8-9-26-16(2)10-18)30-22-11-19(5-6-20(22)23)25(32)27-13-17-4-7-24-28-15-29-31(24)14-17/h4-12,14-15H,3,13H2,1-2H3,(H,27,32).
What are the key properties of 4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide?
4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide has a molecular weight of 438.49 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide is sourced from PubChem (CID 122431362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).