7-(2,4-dimethylphenyl)-N-ethyl-2-(ethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide

C20H24N6O2 — CID 143209862

IUPAC7-(2,4-dimethylphenyl)-N-ethyl-2-(ethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
SMILESCCNC(=O)Nc1nc2cc(-c3ccc(C)cc3C)cc(C(=O)NCC)n2n1
InChIInChI=1S/C20H24N6O2/c1-5-21-18(27)16-10-14(15-8-7-12(3)9-13(15)4)11-17-23-19(25-26(16)17)24-20(28)22-6-2/h7-11H,5-6H2,1-4H3,(H,21,27)(H2,22,24,25,28)
InChIKeyKHSANWUFDDXILK-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.90
Rot. Bonds5

About 7-(2,4-dimethylphenyl)-N-ethyl-2-(ethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide

7-(2,4-dimethylphenyl)-N-ethyl-2-(ethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 143209862) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 7-(2,4-dimethylphenyl)-N-ethyl-2-(ethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name7-(2,4-dimethylphenyl)-N-ethyl-2-(ethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
PubChem CID143209862
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name7-(2,4-dimethylphenyl)-N-ethyl-2-(ethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
SMILESCCNC(=O)Nc1nc2cc(-c3ccc(C)cc3C)cc(C(=O)NCC)n2n1
InChIInChI=1S/C20H24N6O2/c1-5-21-18(27)16-10-14(15-8-7-12(3)9-13(15)4)11-17-23-19(25-26(16)17)24-20(28)22-6-2/h7-11H,5-6H2,1-4H3,(H,21,27)(H2,22,24,25,28)
InChIKeyKHSANWUFDDXILK-UHFFFAOYSA-N
XLogP2.90
TPSA100.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dimethylphenyl)-N-ethyl-2-(ethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of 7-(2,4-dimethylphenyl)-N-ethyl-2-(ethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide (CID 143209862) is 7-(2,4-dimethylphenyl)-N-ethyl-2-(ethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for 7-(2,4-dimethylphenyl)-N-ethyl-2-(ethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for 7-(2,4-dimethylphenyl)-N-ethyl-2-(ethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide is CCNC(=O)Nc1nc2cc(-c3ccc(C)cc3C)cc(C(=O)NCC)n2n1.
What is the InChIKey of 7-(2,4-dimethylphenyl)-N-ethyl-2-(ethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is KHSANWUFDDXILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-5-21-18(27)16-10-14(15-8-7-12(3)9-13(15)4)11-17-23-19(25-26(16)17)24-20(28)22-6-2/h7-11H,5-6H2,1-4H3,(H,21,27)(H2,22,24,25,28).
What are the key properties of 7-(2,4-dimethylphenyl)-N-ethyl-2-(ethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
7-(2,4-dimethylphenyl)-N-ethyl-2-(ethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dimethylphenyl)-N-ethyl-2-(ethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 143209862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).