4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide

C24H27N7O3 — CID 71074212

IUPAC4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCOc1ccc(Nc2cc(-c3ccc(C(=O)NCCN(C)C)cc3)cn3ncnc23)nc1OC
InChIInChI=1S/C24H27N7O3/c1-30(2)12-11-25-23(32)17-7-5-16(6-8-17)18-13-19(22-26-15-27-31(22)14-18)28-21-10-9-20(33-3)24(29-21)34-4/h5-10,13-15H,11-12H2,1-4H3,(H,25,32)(H,28,29)
InChIKeyKHHXAYXIQQXKMC-UHFFFAOYSA-N
MW461.53 g/mol
LogP2.84
Rot. Bonds9

About 4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide

4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide (PubChem CID 71074212) has the molecular formula C24H27N7O3 and a molecular weight of 461.53 g/mol. Its IUPAC name is 4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide
PubChem CID71074212
Molecular FormulaC24H27N7O3
Molecular Weight461.53 g/mol
Exact Mass461.22
IUPAC Name4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCOc1ccc(Nc2cc(-c3ccc(C(=O)NCCN(C)C)cc3)cn3ncnc23)nc1OC
InChIInChI=1S/C24H27N7O3/c1-30(2)12-11-25-23(32)17-7-5-16(6-8-17)18-13-19(22-26-15-27-31(22)14-18)28-21-10-9-20(33-3)24(29-21)34-4/h5-10,13-15H,11-12H2,1-4H3,(H,25,32)(H,28,29)
InChIKeyKHHXAYXIQQXKMC-UHFFFAOYSA-N
XLogP2.84
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide?
The IUPAC name of 4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide (CID 71074212) is 4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for 4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide?
The canonical SMILES for 4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide is COc1ccc(Nc2cc(-c3ccc(C(=O)NCCN(C)C)cc3)cn3ncnc23)nc1OC.
What is the InChIKey of 4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide?
The InChIKey is KHHXAYXIQQXKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O3/c1-30(2)12-11-25-23(32)17-7-5-16(6-8-17)18-13-19(22-26-15-27-31(22)14-18)28-21-10-9-20(33-3)24(29-21)34-4/h5-10,13-15H,11-12H2,1-4H3,(H,25,32)(H,28,29).
What are the key properties of 4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide?
4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide has a molecular weight of 461.53 g/mol, XLogP of 2.84, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 71074212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).