N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-pyridin-3-ylacetamide

C18H19ClN6O — CID 83278475

IUPACN-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)NC1CCN(c2nnc3ccc(Cl)cn23)CC1
InChIInChI=1S/C18H19ClN6O/c19-14-3-4-16-22-23-18(25(16)12-14)24-8-5-15(6-9-24)21-17(26)10-13-2-1-7-20-11-13/h1-4,7,11-12,15H,5-6,8-10H2,(H,21,26)
InChIKeyGYZROSHFLMMIJV-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.11
Rot. Bonds4

About N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-pyridin-3-ylacetamide

N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-pyridin-3-ylacetamide (PubChem CID 83278475) has the molecular formula C18H19ClN6O and a molecular weight of 370.84 g/mol. Its IUPAC name is N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-pyridin-3-ylacetamide
PubChem CID83278475
Molecular FormulaC18H19ClN6O
Molecular Weight370.84 g/mol
Exact Mass370.13
IUPAC NameN-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)NC1CCN(c2nnc3ccc(Cl)cn23)CC1
InChIInChI=1S/C18H19ClN6O/c19-14-3-4-16-22-23-18(25(16)12-14)24-8-5-15(6-9-24)21-17(26)10-13-2-1-7-20-11-13/h1-4,7,11-12,15H,5-6,8-10H2,(H,21,26)
InChIKeyGYZROSHFLMMIJV-UHFFFAOYSA-N
XLogP2.11
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-pyridin-3-ylacetamide (CID 83278475) is N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-pyridin-3-ylacetamide is O=C(Cc1cccnc1)NC1CCN(c2nnc3ccc(Cl)cn23)CC1.
What is the InChIKey of N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-pyridin-3-ylacetamide?
The InChIKey is GYZROSHFLMMIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O/c19-14-3-4-16-22-23-18(25(16)12-14)24-8-5-15(6-9-24)21-17(26)10-13-2-1-7-20-11-13/h1-4,7,11-12,15H,5-6,8-10H2,(H,21,26).
What are the key properties of N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-pyridin-3-ylacetamide?
N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-pyridin-3-ylacetamide has a molecular weight of 370.84 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 83278475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).