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

C19H20ClN5O2 — CID 53203133

IUPAC1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1cccc(NC(=O)C2CCN(c3nnc4c(Cl)cccn34)CC2)c1
InChIInChI=1S/C19H20ClN5O2/c1-27-15-5-2-4-14(12-15)21-18(26)13-7-10-24(11-8-13)19-23-22-17-16(20)6-3-9-25(17)19/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,21,26)
InChIKeyWBYHOFCENAIUAY-UHFFFAOYSA-N
MW385.86 g/mol
LogP3.25
Rot. Bonds4

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

1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(3-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 53203133) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is 1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(3-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
PubChem CID53203133
Molecular FormulaC19H20ClN5O2
Molecular Weight385.86 g/mol
Exact Mass385.13
IUPAC Name1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1cccc(NC(=O)C2CCN(c3nnc4c(Cl)cccn34)CC2)c1
InChIInChI=1S/C19H20ClN5O2/c1-27-15-5-2-4-14(12-15)21-18(26)13-7-10-24(11-8-13)19-23-22-17-16(20)6-3-9-25(17)19/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,21,26)
InChIKeyWBYHOFCENAIUAY-UHFFFAOYSA-N
XLogP3.25
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 95114916
(3S)-1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 95114917
[4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 53203694
N-(3-methoxyphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide
CID 16875982
N-(3-methoxyphenyl)-1-(2-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53146185
N-(3-methoxyphenyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062144
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 90611508
(3S)-1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 95114907
4-amino-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 60848992
1-(5-cyano-2-pyridinyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 17438163
1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide
CID 41183176
2-[4-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 46360787

Frequently Asked Questions

What is the IUPAC name of 1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(3-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(3-methoxyphenyl)piperidine-4-carboxamide (CID 53203133) is 1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(3-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(3-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(3-methoxyphenyl)piperidine-4-carboxamide is COc1cccc(NC(=O)C2CCN(c3nnc4c(Cl)cccn34)CC2)c1.
What is the InChIKey of 1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(3-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is WBYHOFCENAIUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2/c1-27-15-5-2-4-14(12-15)21-18(26)13-7-10-24(11-8-13)19-23-22-17-16(20)6-3-9-25(17)19/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,21,26).
What are the key properties of 1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(3-methoxyphenyl)piperidine-4-carboxamide?
1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(3-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 385.86 g/mol, XLogP of 3.25, 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-(3-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 53203133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).