1-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]-N-phenylpiperidine-3-carboxamide

C19H21N5O2 — CID 42929856

IUPAC1-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(Cn2nc3ccccn3c2=O)C1
InChIInChI=1S/C19H21N5O2/c25-18(20-16-8-2-1-3-9-16)15-7-6-11-22(13-15)14-24-19(26)23-12-5-4-10-17(23)21-24/h1-5,8-10,12,15H,6-7,11,13-14H2,(H,20,25)
InChIKeyGQTAICYUPVZUKZ-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.80
Rot. Bonds4

About 1-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]-N-phenylpiperidine-3-carboxamide

1-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 42929856) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
PubChem CID42929856
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name1-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(Cn2nc3ccccn3c2=O)C1
InChIInChI=1S/C19H21N5O2/c25-18(20-16-8-2-1-3-9-16)15-7-6-11-22(13-15)14-24-19(26)23-12-5-4-10-17(23)21-24/h1-5,8-10,12,15H,6-7,11,13-14H2,(H,20,25)
InChIKeyGQTAICYUPVZUKZ-UHFFFAOYSA-N
XLogP1.80
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]piperidine-4-carboxamide
CID 42929839
1-[(3,4-dicyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 42926897
1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide
CID 17496230
4-[(3S)-3-(phenylcarbamoyl)piperidin-1-yl]butanoic acid
CID 124576176
1-[(2,6-dichlorophenyl)methyl]-N-phenylpiperidine-3-carboxamide
CID 43918962
(3S)-1-[[3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N-phenylpiperidine-3-carboxamide
CID 124733559
(3R)-1-[(5-nitroindazol-1-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 35976837
1-(3-morpholin-4-ylpropyl)-N-phenylpiperidine-3-carboxamide
CID 56798820
1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide
CID 47074842
(3R)-1-[(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 26012258
2-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 42888788
N-phenyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43929041

Frequently Asked Questions

What is the IUPAC name of 1-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]-N-phenylpiperidine-3-carboxamide (CID 42929856) is 1-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]-N-phenylpiperidine-3-carboxamide is O=C(Nc1ccccc1)C1CCCN(Cn2nc3ccccn3c2=O)C1.
What is the InChIKey of 1-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is GQTAICYUPVZUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c25-18(20-16-8-2-1-3-9-16)15-7-6-11-22(13-15)14-24-19(26)23-12-5-4-10-17(23)21-24/h1-5,8-10,12,15H,6-7,11,13-14H2,(H,20,25).
What are the key properties of 1-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]-N-phenylpiperidine-3-carboxamide?
1-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 42929856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).