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

C26H24N6O3 — CID 122424008

IUPAC4-(2-methoxyethoxy)-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide
SMILESCOCCOc1cc(-c2ccnc(C)c2)nc2cc(C(=O)NCc3ccn4ncnc4c3)ccc12
InChIInChI=1S/C26H24N6O3/c1-17-11-19(5-7-27-17)22-14-24(35-10-9-34-2)21-4-3-20(13-23(21)31-22)26(33)28-15-18-6-8-32-25(12-18)29-16-30-32/h3-8,11-14,16H,9-10,15H2,1-2H3,(H,28,33)
InChIKeyNANKGWHAHDUWDF-UHFFFAOYSA-N
MW468.52 g/mol
LogP3.60
Rot. Bonds8

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

4-(2-methoxyethoxy)-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide (PubChem CID 122424008) has the molecular formula C26H24N6O3 and a molecular weight of 468.52 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide
PubChem CID122424008
Molecular FormulaC26H24N6O3
Molecular Weight468.52 g/mol
Exact Mass468.19
IUPAC Name4-(2-methoxyethoxy)-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide
SMILESCOCCOc1cc(-c2ccnc(C)c2)nc2cc(C(=O)NCc3ccn4ncnc4c3)ccc12
InChIInChI=1S/C26H24N6O3/c1-17-11-19(5-7-27-17)22-14-24(35-10-9-34-2)21-4-3-20(13-23(21)31-22)26(33)28-15-18-6-8-32-25(12-18)29-16-30-32/h3-8,11-14,16H,9-10,15H2,1-2H3,(H,28,33)
InChIKeyNANKGWHAHDUWDF-UHFFFAOYSA-N
XLogP3.60
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide?
The IUPAC name of 4-(2-methoxyethoxy)-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide (CID 122424008) is 4-(2-methoxyethoxy)-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-(2-methoxyethoxy)-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide?
The canonical SMILES for 4-(2-methoxyethoxy)-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide is COCCOc1cc(-c2ccnc(C)c2)nc2cc(C(=O)NCc3ccn4ncnc4c3)ccc12.
What is the InChIKey of 4-(2-methoxyethoxy)-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide?
The InChIKey is NANKGWHAHDUWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O3/c1-17-11-19(5-7-27-17)22-14-24(35-10-9-34-2)21-4-3-20(13-23(21)31-22)26(33)28-15-18-6-8-32-25(12-18)29-16-30-32/h3-8,11-14,16H,9-10,15H2,1-2H3,(H,28,33).
What are the key properties of 4-(2-methoxyethoxy)-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide?
4-(2-methoxyethoxy)-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide has a molecular weight of 468.52 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide is sourced from PubChem (CID 122424008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).