6-chloro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide

C18H13ClN6O — CID 7532473

IUPAC6-chloro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide
SMILESCc1nnc2ccc(-c3cccc(NC(=O)c4ccc(Cl)nc4)c3)nn12
InChIInChI=1S/C18H13ClN6O/c1-11-22-23-17-8-6-15(24-25(11)17)12-3-2-4-14(9-12)21-18(26)13-5-7-16(19)20-10-13/h2-10H,1H3,(H,21,26)
InChIKeyUEWHIPATHUCLQK-UHFFFAOYSA-N
MW364.80 g/mol
LogP3.40
Rot. Bonds3

About 6-chloro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide

6-chloro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide (PubChem CID 7532473) has the molecular formula C18H13ClN6O and a molecular weight of 364.80 g/mol. Its IUPAC name is 6-chloro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide
PubChem CID7532473
Molecular FormulaC18H13ClN6O
Molecular Weight364.80 g/mol
Exact Mass364.08
IUPAC Name6-chloro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide
SMILESCc1nnc2ccc(-c3cccc(NC(=O)c4ccc(Cl)nc4)c3)nn12
InChIInChI=1S/C18H13ClN6O/c1-11-22-23-17-8-6-15(24-25(11)17)12-3-2-4-14(9-12)21-18(26)13-5-7-16(19)20-10-13/h2-10H,1H3,(H,21,26)
InChIKeyUEWHIPATHUCLQK-UHFFFAOYSA-N
XLogP3.40
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.80
LogP ≤ 53.40
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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Related Compounds

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CID 58063117
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CID 58063225
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CID 59227397
N-[3-(2,5-dichlorophenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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1-(2-chlorophenyl)-4-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
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US10774086, Example 7
CID 134551551

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide (CID 7532473) is 6-chloro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide is Cc1nnc2ccc(-c3cccc(NC(=O)c4ccc(Cl)nc4)c3)nn12.
What is the InChIKey of 6-chloro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is UEWHIPATHUCLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN6O/c1-11-22-23-17-8-6-15(24-25(11)17)12-3-2-4-14(9-12)21-18(26)13-5-7-16(19)20-10-13/h2-10H,1H3,(H,21,26).
What are the key properties of 6-chloro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide?
6-chloro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 364.80 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 7532473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).