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

C20H22FN5O2 — CID 53203269

IUPACN-(3-fluoro-4-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(c3nnc4cccc(C)n34)C2)cc1F
InChIInChI=1S/C20H22FN5O2/c1-13-5-3-7-18-23-24-20(26(13)18)25-10-4-6-14(12-25)19(27)22-15-8-9-17(28-2)16(21)11-15/h3,5,7-9,11,14H,4,6,10,12H2,1-2H3,(H,22,27)
InChIKeyOMMUBQFBBFFBIB-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.04
Rot. Bonds4

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

N-(3-fluoro-4-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide (PubChem CID 53203269) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
PubChem CID53203269
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(c3nnc4cccc(C)n34)C2)cc1F
InChIInChI=1S/C20H22FN5O2/c1-13-5-3-7-18-23-24-20(26(13)18)25-10-4-6-14(12-25)19(27)22-15-8-9-17(28-2)16(21)11-15/h3,5,7-9,11,14H,4,6,10,12H2,1-2H3,(H,22,27)
InChIKeyOMMUBQFBBFFBIB-UHFFFAOYSA-N
XLogP3.04
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-fluoro-4-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-N-(3-fluoro-4-methylphenyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 95114977
(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-[4-methoxy-3-(trifluoromethyl)phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 95114600
(3R)-N-[(2,4-difluorophenyl)methyl]-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 95115025
1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-propylpiperidine-3-carboxamide
CID 53202961
N-(3,4-dimethoxyphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025140
(3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 97161733
(3R)-N-(3,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide
CID 96595344
(3R)-N-(2,4-dimethoxyphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 95114780
(3R)-N-(3,4-difluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 97040572
(3R)-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 95114666
N-(3,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514398

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide (CID 53203269) is N-(3-fluoro-4-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide is COc1ccc(NC(=O)C2CCCN(c3nnc4cccc(C)n34)C2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide?
The InChIKey is OMMUBQFBBFFBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-13-5-3-7-18-23-24-20(26(13)18)25-10-4-6-14(12-25)19(27)22-15-8-9-17(28-2)16(21)11-15/h3,5,7-9,11,14H,4,6,10,12H2,1-2H3,(H,22,27).
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide?
N-(3-fluoro-4-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53203269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).