(3S)-N-(3-fluoro-4-methylphenyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide

C20H22FN5O — CID 95114977

IUPAC(3S)-N-(3-fluoro-4-methylphenyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCCN(c3nnc4cccc(C)n34)C2)cc1F
InChIInChI=1S/C20H22FN5O/c1-13-8-9-16(11-17(13)21)22-19(27)15-6-4-10-25(12-15)20-24-23-18-7-3-5-14(2)26(18)20/h3,5,7-9,11,15H,4,6,10,12H2,1-2H3,(H,22,27)/t15-/m0/s1
InChIKeyAVIGOUFBDGJPIC-HNNXBMFYSA-N
MW367.43 g/mol
LogP3.34
Rot. Bonds3

About (3S)-N-(3-fluoro-4-methylphenyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide

(3S)-N-(3-fluoro-4-methylphenyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide (PubChem CID 95114977) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is (3S)-N-(3-fluoro-4-methylphenyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-fluoro-4-methylphenyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
PubChem CID95114977
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name(3S)-N-(3-fluoro-4-methylphenyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCCN(c3nnc4cccc(C)n34)C2)cc1F
InChIInChI=1S/C20H22FN5O/c1-13-8-9-16(11-17(13)21)22-19(27)15-6-4-10-25(12-15)20-24-23-18-7-3-5-14(2)26(18)20/h3,5,7-9,11,15H,4,6,10,12H2,1-2H3,(H,22,27)/t15-/m0/s1
InChIKeyAVIGOUFBDGJPIC-HNNXBMFYSA-N
XLogP3.34
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluoro-4-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 53203269
1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-propylpiperidine-3-carboxamide
CID 53202961
(3R)-N-[(2,4-difluorophenyl)methyl]-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 95115025
(4-methylpiperazin-1-yl)-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone
CID 83274022
(3R)-N-(3-fluoro-4-methylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907702
(3S)-N-(3-fluoro-4-methylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 95117314
(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-(3,4-difluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 97040572
(4-cyclohexylpiperazin-1-yl)-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone
CID 53203316
N-(3-ethylphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 53203140
(3S)-N-(3-fluoro-4-methylphenyl)-1-[3-(3-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide
CID 92899352
(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

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-fluoro-4-methylphenyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-fluoro-4-methylphenyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide (CID 95114977) is (3S)-N-(3-fluoro-4-methylphenyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-fluoro-4-methylphenyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-fluoro-4-methylphenyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide is Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc4cccc(C)n34)C2)cc1F.
What is the InChIKey of (3S)-N-(3-fluoro-4-methylphenyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide?
The InChIKey is AVIGOUFBDGJPIC-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-13-8-9-16(11-17(13)21)22-19(27)15-6-4-10-25(12-15)20-24-23-18-7-3-5-14(2)26(18)20/h3,5,7-9,11,15H,4,6,10,12H2,1-2H3,(H,22,27)/t15-/m0/s1.
What are the key properties of (3S)-N-(3-fluoro-4-methylphenyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide?
(3S)-N-(3-fluoro-4-methylphenyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-fluoro-4-methylphenyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95114977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).