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

C24H19ClN6O — CID 145002106

IUPACN-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-2-[(3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide
SMILESCc1cnc2ccc(Cc3cc(C(=O)NCc4nnc5ccc(Cl)cn45)ccn3)cc2c1
InChIInChI=1S/C24H19ClN6O/c1-15-8-18-9-16(2-4-21(18)27-12-15)10-20-11-17(6-7-26-20)24(32)28-13-23-30-29-22-5-3-19(25)14-31(22)23/h2-9,11-12,14H,10,13H2,1H3,(H,28,32)
InChIKeyTYDNJSMMAIZQJM-UHFFFAOYSA-N
MW442.91 g/mol
LogP4.16
Rot. Bonds5

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

N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-2-[(3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide (PubChem CID 145002106) has the molecular formula C24H19ClN6O and a molecular weight of 442.91 g/mol. Its IUPAC name is N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-2-[(3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-2-[(3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide
PubChem CID145002106
Molecular FormulaC24H19ClN6O
Molecular Weight442.91 g/mol
Exact Mass442.13
IUPAC NameN-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-2-[(3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide
SMILESCc1cnc2ccc(Cc3cc(C(=O)NCc4nnc5ccc(Cl)cn45)ccn3)cc2c1
InChIInChI=1S/C24H19ClN6O/c1-15-8-18-9-16(2-4-21(18)27-12-15)10-20-11-17(6-7-26-20)24(32)28-13-23-30-29-22-5-3-19(25)14-31(22)23/h2-9,11-12,14H,10,13H2,1H3,(H,28,32)
InChIKeyTYDNJSMMAIZQJM-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

Analyze N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-2-[(3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-2-[(3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-2-[(3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide (CID 145002106) is N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-2-[(3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-2-[(3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-2-[(3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide is Cc1cnc2ccc(Cc3cc(C(=O)NCc4nnc5ccc(Cl)cn45)ccn3)cc2c1.
What is the InChIKey of N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-2-[(3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide?
The InChIKey is TYDNJSMMAIZQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN6O/c1-15-8-18-9-16(2-4-21(18)27-12-15)10-20-11-17(6-7-26-20)24(32)28-13-23-30-29-22-5-3-19(25)14-31(22)23/h2-9,11-12,14H,10,13H2,1H3,(H,28,32).
What are the key properties of N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-2-[(3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide?
N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-2-[(3-methylquinolin-6-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 N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-2-[(3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 145002106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).