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

C22H19N5O2 — CID 44625606

IUPACN-[5-[4-(pyridin-3-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(OCc4cccnc4)cc3)n2n1)C1CC1
InChIInChI=1S/C22H19N5O2/c28-21(17-6-7-17)25-22-24-20-5-1-4-19(27(20)26-22)16-8-10-18(11-9-16)29-14-15-3-2-12-23-13-15/h1-5,8-13,17H,6-7,14H2,(H,25,26,28)
InChIKeyXAVZDFZMIJYLGX-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.72
Rot. Bonds6

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

N-[5-[4-(pyridin-3-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 44625606) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is N-[5-[4-(pyridin-3-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-(pyridin-3-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID44625606
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC NameN-[5-[4-(pyridin-3-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(OCc4cccnc4)cc3)n2n1)C1CC1
InChIInChI=1S/C22H19N5O2/c28-21(17-6-7-17)25-22-24-20-5-1-4-19(27(20)26-22)16-8-10-18(11-9-16)29-14-15-3-2-12-23-13-15/h1-5,8-13,17H,6-7,14H2,(H,25,26,28)
InChIKeyXAVZDFZMIJYLGX-UHFFFAOYSA-N
XLogP3.72
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(pyridin-3-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-(pyridin-3-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 44625606) is N-[5-[4-(pyridin-3-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-(pyridin-3-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-(pyridin-3-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(OCc4cccnc4)cc3)n2n1)C1CC1.
What is the InChIKey of N-[5-[4-(pyridin-3-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is XAVZDFZMIJYLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c28-21(17-6-7-17)25-22-24-20-5-1-4-19(27(20)26-22)16-8-10-18(11-9-16)29-14-15-3-2-12-23-13-15/h1-5,8-13,17H,6-7,14H2,(H,25,26,28).
What are the key properties of N-[5-[4-(pyridin-3-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-(pyridin-3-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 385.43 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(pyridin-3-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 44625606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).