N-[8-[2-(pyridin-3-ylmethoxy)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C21H18N6O2 — CID 44624254

IUPACN-[8-[2-(pyridin-3-ylmethoxy)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2c(-c3ccnc(OCc4cccnc4)c3)cccn2n1)C1CC1
InChIInChI=1S/C21H18N6O2/c28-20(15-5-6-15)25-21-24-19-17(4-2-10-27(19)26-21)16-7-9-23-18(11-16)29-13-14-3-1-8-22-12-14/h1-4,7-12,15H,5-6,13H2,(H,25,26,28)
InChIKeyDMJUVAUDARGYBW-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.11
Rot. Bonds6

About N-[8-[2-(pyridin-3-ylmethoxy)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[8-[2-(pyridin-3-ylmethoxy)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 44624254) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is N-[8-[2-(pyridin-3-ylmethoxy)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[8-[2-(pyridin-3-ylmethoxy)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID44624254
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC NameN-[8-[2-(pyridin-3-ylmethoxy)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2c(-c3ccnc(OCc4cccnc4)c3)cccn2n1)C1CC1
InChIInChI=1S/C21H18N6O2/c28-20(15-5-6-15)25-21-24-19-17(4-2-10-27(19)26-21)16-7-9-23-18(11-16)29-13-14-3-1-8-22-12-14/h1-4,7-12,15H,5-6,13H2,(H,25,26,28)
InChIKeyDMJUVAUDARGYBW-UHFFFAOYSA-N
XLogP3.11
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[8-[2-(pyridin-3-ylmethoxy)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[8-[2-(pyridin-3-ylmethoxy)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 44624254) is N-[8-[2-(pyridin-3-ylmethoxy)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[8-[2-(pyridin-3-ylmethoxy)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[8-[2-(pyridin-3-ylmethoxy)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2c(-c3ccnc(OCc4cccnc4)c3)cccn2n1)C1CC1.
What is the InChIKey of N-[8-[2-(pyridin-3-ylmethoxy)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is DMJUVAUDARGYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c28-20(15-5-6-15)25-21-24-19-17(4-2-10-27(19)26-21)16-7-9-23-18(11-16)29-13-14-3-1-8-22-12-14/h1-4,7-12,15H,5-6,13H2,(H,25,26,28).
What are the key properties of N-[8-[2-(pyridin-3-ylmethoxy)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[8-[2-(pyridin-3-ylmethoxy)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 386.42 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[2-(pyridin-3-ylmethoxy)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 44624254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).