1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide

C17H18ClN5O2 — CID 53203231

IUPAC1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccco1)C1CCCN(c2nnc3c(Cl)cccn23)C1
InChIInChI=1S/C17H18ClN5O2/c18-14-6-2-8-23-15(14)20-21-17(23)22-7-1-4-12(11-22)16(24)19-10-13-5-3-9-25-13/h2-3,5-6,8-9,12H,1,4,7,10-11H2,(H,19,24)
InChIKeyAGYKRMWMAOSIMV-UHFFFAOYSA-N
MW359.82 g/mol
LogP2.51
Rot. Bonds4

About 1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide

1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 53203231) has the molecular formula C17H18ClN5O2 and a molecular weight of 359.82 g/mol. Its IUPAC name is 1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
PubChem CID53203231
Molecular FormulaC17H18ClN5O2
Molecular Weight359.82 g/mol
Exact Mass359.11
IUPAC Name1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccco1)C1CCCN(c2nnc3c(Cl)cccn23)C1
InChIInChI=1S/C17H18ClN5O2/c18-14-6-2-8-23-15(14)20-21-17(23)22-7-1-4-12(11-22)16(24)19-10-13-5-3-9-25-13/h2-3,5-6,8-9,12H,1,4,7,10-11H2,(H,19,24)
InChIKeyAGYKRMWMAOSIMV-UHFFFAOYSA-N
XLogP2.51
TPSA75.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide (CID 53203231) is 1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide is O=C(NCc1ccco1)C1CCCN(c2nnc3c(Cl)cccn23)C1.
What is the InChIKey of 1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is AGYKRMWMAOSIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2/c18-14-6-2-8-23-15(14)20-21-17(23)22-7-1-4-12(11-22)16(24)19-10-13-5-3-9-25-13/h2-3,5-6,8-9,12H,1,4,7,10-11H2,(H,19,24).
What are the key properties of 1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 359.82 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 53203231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).