2-methyl-6-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile

C15H16N6O — CID 129398226

IUPAC2-methyl-6-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile
SMILESCc1nc(C(=O)N2CCCC[C@H]2c2ncn[nH]2)ccc1C#N
InChIInChI=1S/C15H16N6O/c1-10-11(8-16)5-6-12(19-10)15(22)21-7-3-2-4-13(21)14-17-9-18-20-14/h5-6,9,13H,2-4,7H2,1H3,(H,17,18,20)/t13-/m0/s1
InChIKeyZZGIDORORQNYBH-ZDUSSCGKSA-N
MW296.33 g/mol
LogP1.75
Rot. Bonds2

About 2-methyl-6-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile

2-methyl-6-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile (PubChem CID 129398226) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-methyl-6-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile
PubChem CID129398226
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name2-methyl-6-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile
SMILESCc1nc(C(=O)N2CCCC[C@H]2c2ncn[nH]2)ccc1C#N
InChIInChI=1S/C15H16N6O/c1-10-11(8-16)5-6-12(19-10)15(22)21-7-3-2-4-13(21)14-17-9-18-20-14/h5-6,9,13H,2-4,7H2,1H3,(H,17,18,20)/t13-/m0/s1
InChIKeyZZGIDORORQNYBH-ZDUSSCGKSA-N
XLogP1.75
TPSA98.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile
CID 95762363
3-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]benzonitrile
CID 129397847
1-[4-[2-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]phenyl]ethanone
CID 84594447
6-[2-(hydroxymethyl)azepane-1-carbonyl]-2-methylpyridine-3-carbonitrile
CID 116636076
1H-pyrrol-2-yl-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 97332578
[4-(dimethylamino)-2-pyridinyl]-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 129381722
(2,2,3,3-tetramethylcyclopropyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 128991556
6-[(2R)-2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile
CID 97210921
imidazo[1,2-a]pyridin-2-yl-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 129487845
6-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-2-methylpyridine-3-carbonitrile
CID 97066130
(1-tert-butyl-3-methylpyrazol-4-yl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 128993946
(1-ethyl-6-methylpyrazolo[3,4-b]pyridin-5-yl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 129006569

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile?
The IUPAC name of 2-methyl-6-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile (CID 129398226) is 2-methyl-6-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-methyl-6-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-methyl-6-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile is Cc1nc(C(=O)N2CCCC[C@H]2c2ncn[nH]2)ccc1C#N.
What is the InChIKey of 2-methyl-6-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile?
The InChIKey is ZZGIDORORQNYBH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16N6O/c1-10-11(8-16)5-6-12(19-10)15(22)21-7-3-2-4-13(21)14-17-9-18-20-14/h5-6,9,13H,2-4,7H2,1H3,(H,17,18,20)/t13-/m0/s1.
What are the key properties of 2-methyl-6-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile?
2-methyl-6-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile has a molecular weight of 296.33 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile is sourced from PubChem (CID 129398226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).