N-butyl-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide

C16H22ClN5O — CID 53203332

IUPACN-butyl-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(c2nnc3ccc(Cl)cn23)C1
InChIInChI=1S/C16H22ClN5O/c1-2-3-8-18-15(23)12-5-4-9-21(10-12)16-20-19-14-7-6-13(17)11-22(14)16/h6-7,11-12H,2-5,8-10H2,1H3,(H,18,23)
InChIKeyJRCGXWXTZGJXPS-UHFFFAOYSA-N
MW335.84 g/mol
LogP2.52
Rot. Bonds5

About N-butyl-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide

N-butyl-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide (PubChem CID 53203332) has the molecular formula C16H22ClN5O and a molecular weight of 335.84 g/mol. Its IUPAC name is N-butyl-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
PubChem CID53203332
Molecular FormulaC16H22ClN5O
Molecular Weight335.84 g/mol
Exact Mass335.15
IUPAC NameN-butyl-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(c2nnc3ccc(Cl)cn23)C1
InChIInChI=1S/C16H22ClN5O/c1-2-3-8-18-15(23)12-5-4-9-21(10-12)16-20-19-14-7-6-13(17)11-22(14)16/h6-7,11-12H,2-5,8-10H2,1H3,(H,18,23)
InChIKeyJRCGXWXTZGJXPS-UHFFFAOYSA-N
XLogP2.52
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide
CID 53202982
(4-butylpiperazin-1-yl)-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone
CID 53203356
N-propyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide
CID 53202994
(3R)-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95115108
1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide
CID 53203321
(3R)-N-(3-methoxypropyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide
CID 95114708
(3R)-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 95114666
1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
CID 53203100
1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide
CID 53203112
1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 53203325
N-butyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-3-carboxamide
CID 49431618
1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-propylpiperidine-3-carboxamide
CID 53202961

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-butyl-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide (CID 53203332) is N-butyl-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-butyl-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide is CCCCNC(=O)C1CCCN(c2nnc3ccc(Cl)cn23)C1.
What is the InChIKey of N-butyl-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide?
The InChIKey is JRCGXWXTZGJXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN5O/c1-2-3-8-18-15(23)12-5-4-9-21(10-12)16-20-19-14-7-6-13(17)11-22(14)16/h6-7,11-12H,2-5,8-10H2,1H3,(H,18,23).
What are the key properties of N-butyl-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide?
N-butyl-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide has a molecular weight of 335.84 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53203332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).