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

C18H27ClN6O — CID 53203100

IUPAC1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
SMILESCCN(CC)CCNC(=O)C1CCN(c2nnc3ccc(Cl)cn23)CC1
InChIInChI=1S/C18H27ClN6O/c1-3-23(4-2)12-9-20-17(26)14-7-10-24(11-8-14)18-22-21-16-6-5-15(19)13-25(16)18/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,20,26)
InChIKeyFHNDYMJPMJOYNC-UHFFFAOYSA-N
MW378.91 g/mol
LogP2.06
Rot. Bonds7

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

1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide (PubChem CID 53203100) has the molecular formula C18H27ClN6O and a molecular weight of 378.91 g/mol. Its IUPAC name is 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
PubChem CID53203100
Molecular FormulaC18H27ClN6O
Molecular Weight378.91 g/mol
Exact Mass378.19
IUPAC Name1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
SMILESCCN(CC)CCNC(=O)C1CCN(c2nnc3ccc(Cl)cn23)CC1
InChIInChI=1S/C18H27ClN6O/c1-3-23(4-2)12-9-20-17(26)14-7-10-24(11-8-14)18-22-21-16-6-5-15(19)13-25(16)18/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,20,26)
InChIKeyFHNDYMJPMJOYNC-UHFFFAOYSA-N
XLogP2.06
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.91
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide
CID 53203112
N-butyl-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 53203332
1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 53203104
1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
CID 53203103
N-propyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
CID 53203022
N-[2-(diethylamino)ethyl]-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 29369092
N-[2-(diethylamino)ethyl]-1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 50783320
N-[3-(N-methylanilino)propyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
CID 83273982
(3R)-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95115108
N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-pyridin-3-ylacetamide
CID 83278475
1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide
CID 53203321

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide (CID 53203100) is 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide is CCN(CC)CCNC(=O)C1CCN(c2nnc3ccc(Cl)cn23)CC1.
What is the InChIKey of 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide?
The InChIKey is FHNDYMJPMJOYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN6O/c1-3-23(4-2)12-9-20-17(26)14-7-10-24(11-8-14)18-22-21-16-6-5-15(19)13-25(16)18/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,20,26).
What are the key properties of 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide?
1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide has a molecular weight of 378.91 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 53203100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).