2-chloro-6-(dimethylamino)-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide

C20H17ClN6O — CID 165414906

IUPAC2-chloro-6-(dimethylamino)-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide
SMILESCN(C)c1cc(C(=O)Nc2ccn3nc(-c4ccccc4)nc3c2)cc(Cl)n1
InChIInChI=1S/C20H17ClN6O/c1-26(2)17-11-14(10-16(21)23-17)20(28)22-15-8-9-27-18(12-15)24-19(25-27)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,22,28)
InChIKeyGSYOLHZZDUNONG-UHFFFAOYSA-N
MW392.85 g/mol
LogP3.76
Rot. Bonds4

About 2-chloro-6-(dimethylamino)-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide

2-chloro-6-(dimethylamino)-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide (PubChem CID 165414906) has the molecular formula C20H17ClN6O and a molecular weight of 392.85 g/mol. Its IUPAC name is 2-chloro-6-(dimethylamino)-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(dimethylamino)-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide
PubChem CID165414906
Molecular FormulaC20H17ClN6O
Molecular Weight392.85 g/mol
Exact Mass392.12
IUPAC Name2-chloro-6-(dimethylamino)-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide
SMILESCN(C)c1cc(C(=O)Nc2ccn3nc(-c4ccccc4)nc3c2)cc(Cl)n1
InChIInChI=1S/C20H17ClN6O/c1-26(2)17-11-14(10-16(21)23-17)20(28)22-15-8-9-27-18(12-15)24-19(25-27)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,22,28)
InChIKeyGSYOLHZZDUNONG-UHFFFAOYSA-N
XLogP3.76
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(dimethylamino)-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-(dimethylamino)-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide (CID 165414906) is 2-chloro-6-(dimethylamino)-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-(dimethylamino)-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-(dimethylamino)-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide is CN(C)c1cc(C(=O)Nc2ccn3nc(-c4ccccc4)nc3c2)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(dimethylamino)-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide?
The InChIKey is GSYOLHZZDUNONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6O/c1-26(2)17-11-14(10-16(21)23-17)20(28)22-15-8-9-27-18(12-15)24-19(25-27)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,22,28).
What are the key properties of 2-chloro-6-(dimethylamino)-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide?
2-chloro-6-(dimethylamino)-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide has a molecular weight of 392.85 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(dimethylamino)-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide is sourced from PubChem (CID 165414906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).