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

C20H23N5O3 — CID 95114780

IUPAC(3R)-N-(2,4-dimethoxyphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCN(c3nnc4ccccn34)C2)c(OC)c1
InChIInChI=1S/C20H23N5O3/c1-27-15-8-9-16(17(12-15)28-2)21-19(26)14-6-5-10-24(13-14)20-23-22-18-7-3-4-11-25(18)20/h3-4,7-9,11-12,14H,5-6,10,13H2,1-2H3,(H,21,26)/t14-/m1/s1
InChIKeyHGFNANIGBGFBDT-CQSZACIVSA-N
MW381.44 g/mol
LogP2.60
Rot. Bonds5

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

(3R)-N-(2,4-dimethoxyphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide (PubChem CID 95114780) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is (3R)-N-(2,4-dimethoxyphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2,4-dimethoxyphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
PubChem CID95114780
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name(3R)-N-(2,4-dimethoxyphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCN(c3nnc4ccccn34)C2)c(OC)c1
InChIInChI=1S/C20H23N5O3/c1-27-15-8-9-16(17(12-15)28-2)21-19(26)14-6-5-10-24(13-14)20-23-22-18-7-3-4-11-25(18)20/h3-4,7-9,11-12,14H,5-6,10,13H2,1-2H3,(H,21,26)/t14-/m1/s1
InChIKeyHGFNANIGBGFBDT-CQSZACIVSA-N
XLogP2.60
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 95114600
1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 53203325
(3S)-N-(2,4-dimethoxyphenyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 39315199
(3R)-N-(2,4-dimethoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085918
N-(3-ethylphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 53203140
(3S)-N-(2,3-dihydro-1H-inden-5-yl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 95114546
N-(2,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide
CID 110860603
(3S)-1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 95114917
(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)-N-[(2,4-dimethoxyphenyl)methyl]-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 95115036
(3R)-N-(2,5-dimethoxyphenyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 39313049
(3R)-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 95114666

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,4-dimethoxyphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2,4-dimethoxyphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide (CID 95114780) is (3R)-N-(2,4-dimethoxyphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2,4-dimethoxyphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2,4-dimethoxyphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide is COc1ccc(NC(=O)[C@@H]2CCCN(c3nnc4ccccn34)C2)c(OC)c1.
What is the InChIKey of (3R)-N-(2,4-dimethoxyphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide?
The InChIKey is HGFNANIGBGFBDT-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-27-15-8-9-16(17(12-15)28-2)21-19(26)14-6-5-10-24(13-14)20-23-22-18-7-3-4-11-25(18)20/h3-4,7-9,11-12,14H,5-6,10,13H2,1-2H3,(H,21,26)/t14-/m1/s1.
What are the key properties of (3R)-N-(2,4-dimethoxyphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide?
(3R)-N-(2,4-dimethoxyphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2,4-dimethoxyphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95114780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).