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

C25H22N6O2 — CID 122431406

IUPAC4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccnc(C)c2)nc2cc(C(=O)NCc3ccn4ncnc4c3)ccc12
InChIInChI=1S/C25H22N6O2/c1-3-33-23-13-21(18-6-8-26-16(2)10-18)30-22-12-19(4-5-20(22)23)25(32)27-14-17-7-9-31-24(11-17)28-15-29-31/h4-13,15H,3,14H2,1-2H3,(H,27,32)
InChIKeyLZSOUTDBHSQZPF-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-7-ylmethyl)quinoline-7-carboxamide

4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide (PubChem CID 122431406) 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-7-ylmethyl)quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide
PubChem CID122431406
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-7-ylmethyl)quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccnc(C)c2)nc2cc(C(=O)NCc3ccn4ncnc4c3)ccc12
InChIInChI=1S/C25H22N6O2/c1-3-33-23-13-21(18-6-8-26-16(2)10-18)30-22-12-19(4-5-20(22)23)25(32)27-14-17-7-9-31-24(11-17)28-15-29-31/h4-13,15H,3,14H2,1-2H3,(H,27,32)
InChIKeyLZSOUTDBHSQZPF-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-7-ylmethyl)quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide (CID 122431406) is 4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-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-7-ylmethyl)quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide is CCOc1cc(-c2ccnc(C)c2)nc2cc(C(=O)NCc3ccn4ncnc4c3)ccc12.
What is the InChIKey of 4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide?
The InChIKey is LZSOUTDBHSQZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2/c1-3-33-23-13-21(18-6-8-26-16(2)10-18)30-22-12-19(4-5-20(22)23)25(32)27-14-17-7-9-31-24(11-17)28-15-29-31/h4-13,15H,3,14H2,1-2H3,(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-7-ylmethyl)quinoline-7-carboxamide?
4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-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-7-ylmethyl)quinoline-7-carboxamide is sourced from PubChem (CID 122431406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).