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

C18H11Cl2N5O — CID 165414980

IUPAC2,6-dichloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide
SMILESO=C(Nc1ccn2nc(-c3ccccc3)nc2c1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C18H11Cl2N5O/c19-14-8-12(9-15(20)22-14)18(26)21-13-6-7-25-16(10-13)23-17(24-25)11-4-2-1-3-5-11/h1-10H,(H,21,26)
InChIKeyRVFQJHSUFVUDPD-UHFFFAOYSA-N
MW384.23 g/mol
LogP4.35
Rot. Bonds3

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

2,6-dichloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide (PubChem CID 165414980) has the molecular formula C18H11Cl2N5O and a molecular weight of 384.23 g/mol. Its IUPAC name is 2,6-dichloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide
PubChem CID165414980
Molecular FormulaC18H11Cl2N5O
Molecular Weight384.23 g/mol
Exact Mass383.03
IUPAC Name2,6-dichloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide
SMILESO=C(Nc1ccn2nc(-c3ccccc3)nc2c1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C18H11Cl2N5O/c19-14-8-12(9-15(20)22-14)18(26)21-13-6-7-25-16(10-13)23-17(24-25)11-4-2-1-3-5-11/h1-10H,(H,21,26)
InChIKeyRVFQJHSUFVUDPD-UHFFFAOYSA-N
XLogP4.35
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2,6-dichloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide (CID 165414980) is 2,6-dichloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide is O=C(Nc1ccn2nc(-c3ccccc3)nc2c1)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide?
The InChIKey is RVFQJHSUFVUDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2N5O/c19-14-8-12(9-15(20)22-14)18(26)21-13-6-7-25-16(10-13)23-17(24-25)11-4-2-1-3-5-11/h1-10H,(H,21,26).
What are the key properties of 2,6-dichloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide?
2,6-dichloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide has a molecular weight of 384.23 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide is sourced from PubChem (CID 165414980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).