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

C23H16Cl2N6O — CID 118665341

IUPAC2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1nnc2ccc(Cl)cn12)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1
InChIInChI=1S/C23H16Cl2N6O/c24-17-2-4-21-29-30-22(31(21)13-17)12-28-23(32)15-5-6-26-19(10-15)8-14-1-3-20-16(7-14)9-18(25)11-27-20/h1-7,9-11,13H,8,12H2,(H,28,32)
InChIKeyMKOUWRINCHLWSP-UHFFFAOYSA-N
MW463.33 g/mol
LogP4.50
Rot. Bonds5

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

2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyridine-4-carboxamide (PubChem CID 118665341) has the molecular formula C23H16Cl2N6O and a molecular weight of 463.33 g/mol. Its IUPAC name is 2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-chloro-[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-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyridine-4-carboxamide
PubChem CID118665341
Molecular FormulaC23H16Cl2N6O
Molecular Weight463.33 g/mol
Exact Mass462.08
IUPAC Name2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1nnc2ccc(Cl)cn12)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1
InChIInChI=1S/C23H16Cl2N6O/c24-17-2-4-21-29-30-22(31(21)13-17)12-28-23(32)15-5-6-26-19(10-15)8-14-1-3-20-16(7-14)9-18(25)11-27-20/h1-7,9-11,13H,8,12H2,(H,28,32)
InChIKeyMKOUWRINCHLWSP-UHFFFAOYSA-N
XLogP4.50
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.33
LogP ≤ 54.50
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-chloro-[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-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyridine-4-carboxamide (CID 118665341) is 2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-chloro-[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-chloro-[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-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyridine-4-carboxamide is O=C(NCc1nnc2ccc(Cl)cn12)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1.
What is the InChIKey of 2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyridine-4-carboxamide?
The InChIKey is MKOUWRINCHLWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N6O/c24-17-2-4-21-29-30-22(31(21)13-17)12-28-23(32)15-5-6-26-19(10-15)8-14-1-3-20-16(7-14)9-18(25)11-27-20/h1-7,9-11,13H,8,12H2,(H,28,32).
What are the key properties of 2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyridine-4-carboxamide?
2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyridine-4-carboxamide has a molecular weight of 463.33 g/mol, XLogP of 4.50, 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-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 118665341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).