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

C20H22ClN5O2 — CID 53203321

IUPAC1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCCN(c3nnc4ccc(Cl)cn34)C2)cc1
InChIInChI=1S/C20H22ClN5O2/c1-2-28-17-8-6-16(7-9-17)22-19(27)14-4-3-11-25(12-14)20-24-23-18-10-5-15(21)13-26(18)20/h5-10,13-14H,2-4,11-12H2,1H3,(H,22,27)
InChIKeyPDEYDDWVRASYDN-UHFFFAOYSA-N
MW399.88 g/mol
LogP3.64
Rot. Bonds5

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

1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide (PubChem CID 53203321) has the molecular formula C20H22ClN5O2 and a molecular weight of 399.88 g/mol. Its IUPAC name is 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide
PubChem CID53203321
Molecular FormulaC20H22ClN5O2
Molecular Weight399.88 g/mol
Exact Mass399.15
IUPAC Name1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCCN(c3nnc4ccc(Cl)cn34)C2)cc1
InChIInChI=1S/C20H22ClN5O2/c1-2-28-17-8-6-16(7-9-17)22-19(27)14-4-3-11-25(12-14)20-24-23-18-10-5-15(21)13-26(18)20/h5-10,13-14H,2-4,11-12H2,1H3,(H,22,27)
InChIKeyPDEYDDWVRASYDN-UHFFFAOYSA-N
XLogP3.64
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide with MolForge

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Related Compounds

(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-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 53203325
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-[2-(diethylamino)ethyl]piperidine-3-carboxamide
CID 53202982
N-(4-ethoxyphenyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 71839397
(3R)-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95115108
N-(4-ethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514429
N-(4-ethoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025005
(3S)-N-(4-ethoxyphenyl)-1-[5-(4-fluorophenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 95085459
(3R)-N-(4-ethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 95050432
1-[(2-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperidine-3-carboxamide
CID 43919760
(3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435320

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide (CID 53203321) is 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide is CCOc1ccc(NC(=O)C2CCCN(c3nnc4ccc(Cl)cn34)C2)cc1.
What is the InChIKey of 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide?
The InChIKey is PDEYDDWVRASYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O2/c1-2-28-17-8-6-16(7-9-17)22-19(27)14-4-3-11-25(12-14)20-24-23-18-10-5-15(21)13-26(18)20/h5-10,13-14H,2-4,11-12H2,1H3,(H,22,27).
What are the key properties of 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide?
1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide has a molecular weight of 399.88 g/mol, XLogP of 3.64, 5 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-(4-ethoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 53203321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).