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

C21H24ClN5O3 — CID 95114916

IUPAC(3R)-1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)[C@@H]2CCCN(c3nnc4c(Cl)cccn34)C2)c(OC)c1
InChIInChI=1S/C21H24ClN5O3/c1-29-16-8-7-14(18(11-16)30-2)12-23-20(28)15-5-3-9-26(13-15)21-25-24-19-17(22)6-4-10-27(19)21/h4,6-8,10-11,15H,3,5,9,12-13H2,1-2H3,(H,23,28)/t15-/m1/s1
InChIKeyMPUKINVAHDQMKU-OAHLLOKOSA-N
MW429.91 g/mol
LogP2.93
Rot. Bonds6

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

(3R)-1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 95114916) has the molecular formula C21H24ClN5O3 and a molecular weight of 429.91 g/mol. Its IUPAC name is (3R)-1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
PubChem CID95114916
Molecular FormulaC21H24ClN5O3
Molecular Weight429.91 g/mol
Exact Mass429.16
IUPAC Name(3R)-1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)[C@@H]2CCCN(c3nnc4c(Cl)cccn34)C2)c(OC)c1
InChIInChI=1S/C21H24ClN5O3/c1-29-16-8-7-14(18(11-16)30-2)12-23-20(28)15-5-3-9-26(13-15)21-25-24-19-17(22)6-4-10-27(19)21/h4,6-8,10-11,15H,3,5,9,12-13H2,1-2H3,(H,23,28)/t15-/m1/s1
InChIKeyMPUKINVAHDQMKU-OAHLLOKOSA-N
XLogP2.93
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.91
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 95114917
(3S)-1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 95114907
1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 53203021
(3S)-N-[(2,4-dimethoxyphenyl)methyl]-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 95115036
1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 53203235
(3R)-N-(2,4-dimethoxyphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 95114780
(3R)-1-[1-(3-chlorophenyl)-6-oxopyridazin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 95069781
N-[(2,4-dimethoxyphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771237
N-[(2,4-dimethoxyphenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025038
(3R)-N-[(2-methoxyphenyl)methyl]-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide
CID 95115170
N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
CID 47161024
1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 53203325

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide (CID 95114916) is (3R)-1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide is COc1ccc(CNC(=O)[C@@H]2CCCN(c3nnc4c(Cl)cccn34)C2)c(OC)c1.
What is the InChIKey of (3R)-1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is MPUKINVAHDQMKU-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24ClN5O3/c1-29-16-8-7-14(18(11-16)30-2)12-23-20(28)15-5-3-9-26(13-15)21-25-24-19-17(22)6-4-10-27(19)21/h4,6-8,10-11,15H,3,5,9,12-13H2,1-2H3,(H,23,28)/t15-/m1/s1.
What are the key properties of (3R)-1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide?
(3R)-1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 429.91 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 95114916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).