2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyridine-4-carboxamide

C24H19ClN6O — CID 145222223

IUPAC2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyridine-4-carboxamide
SMILESCc1ccc2nnc(CNC(=O)c3ccnc(Cc4ccc5ncc(Cl)cc5c4)c3)n2c1
InChIInChI=1S/C24H19ClN6O/c1-15-2-5-22-29-30-23(31(22)14-15)13-28-24(32)17-6-7-26-20(11-17)9-16-3-4-21-18(8-16)10-19(25)12-27-21/h2-8,10-12,14H,9,13H2,1H3,(H,28,32)
InChIKeyTULZLDXRXXIBTM-UHFFFAOYSA-N
MW442.91 g/mol
LogP4.16
Rot. Bonds5

About 2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyridine-4-carboxamide

2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyridine-4-carboxamide (PubChem CID 145222223) has the molecular formula C24H19ClN6O and a molecular weight of 442.91 g/mol. Its IUPAC name is 2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyridine-4-carboxamide
PubChem CID145222223
Molecular FormulaC24H19ClN6O
Molecular Weight442.91 g/mol
Exact Mass442.13
IUPAC Name2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyridine-4-carboxamide
SMILESCc1ccc2nnc(CNC(=O)c3ccnc(Cc4ccc5ncc(Cl)cc5c4)c3)n2c1
InChIInChI=1S/C24H19ClN6O/c1-15-2-5-22-29-30-23(31(22)14-15)13-28-24(32)17-6-7-26-20(11-17)9-16-3-4-21-18(8-16)10-19(25)12-27-21/h2-8,10-12,14H,9,13H2,1H3,(H,28,32)
InChIKeyTULZLDXRXXIBTM-UHFFFAOYSA-N
XLogP4.16
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.91
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyridine-4-carboxamide (CID 145222223) is 2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyridine-4-carboxamide is Cc1ccc2nnc(CNC(=O)c3ccnc(Cc4ccc5ncc(Cl)cc5c4)c3)n2c1.
What is the InChIKey of 2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyridine-4-carboxamide?
The InChIKey is TULZLDXRXXIBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN6O/c1-15-2-5-22-29-30-23(31(22)14-15)13-28-24(32)17-6-7-26-20(11-17)9-16-3-4-21-18(8-16)10-19(25)12-27-21/h2-8,10-12,14H,9,13H2,1H3,(H,28,32).
What are the key properties of 2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyridine-4-carboxamide?
2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyridine-4-carboxamide has a molecular weight of 442.91 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 145222223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).