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

C20H18N6O3 — CID 71074008

IUPAC4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide
SMILESCOc1ccc(Nc2cc(-c3ccc(C(N)=O)cc3)cn3ncnc23)nc1OC
InChIInChI=1S/C20H18N6O3/c1-28-16-7-8-17(25-20(16)29-2)24-15-9-14(10-26-19(15)22-11-23-26)12-3-5-13(6-4-12)18(21)27/h3-11H,1-2H3,(H2,21,27)(H,24,25)
InChIKeyOPVSNOIGIUXPRX-UHFFFAOYSA-N
MW390.40 g/mol
LogP2.65
Rot. Bonds6

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

4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide (PubChem CID 71074008) has the molecular formula C20H18N6O3 and a molecular weight of 390.40 g/mol. Its IUPAC name is 4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide.

Molecular Properties

Compound Name4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide
PubChem CID71074008
Molecular FormulaC20H18N6O3
Molecular Weight390.40 g/mol
Exact Mass390.14
IUPAC Name4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide
SMILESCOc1ccc(Nc2cc(-c3ccc(C(N)=O)cc3)cn3ncnc23)nc1OC
InChIInChI=1S/C20H18N6O3/c1-28-16-7-8-17(25-20(16)29-2)24-15-9-14(10-26-19(15)22-11-23-26)12-3-5-13(6-4-12)18(21)27/h3-11H,1-2H3,(H2,21,27)(H,24,25)
InChIKeyOPVSNOIGIUXPRX-UHFFFAOYSA-N
XLogP2.65
TPSA116.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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]benzamide?
The IUPAC name of 4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide (CID 71074008) is 4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]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]benzamide?
The canonical SMILES for 4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide is COc1ccc(Nc2cc(-c3ccc(C(N)=O)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]benzamide?
The InChIKey is OPVSNOIGIUXPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3/c1-28-16-7-8-17(25-20(16)29-2)24-15-9-14(10-26-19(15)22-11-23-26)12-3-5-13(6-4-12)18(21)27/h3-11H,1-2H3,(H2,21,27)(H,24,25).
What are the key properties of 4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide?
4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide has a molecular weight of 390.40 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 8 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]benzamide is sourced from PubChem (CID 71074008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).