2-[methyl-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-4-carbonitrile;2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-4-carbonitrile

C43H44N14O2 — CID 158958528

IUPAC2-[methyl-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-4-carbonitrile;2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-4-carbonitrile
SMILESC[C@@H]1CC[C@@H](N(C)c2cc(C#N)ccn2)CN1C(=O)c1ccccc1-n1nccn1.C[C@@H]1CC[C@@H](Nc2cc(C#N)ccn2)CN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C22H23N7O.C21H21N7O/c1-16-7-8-18(27(2)21-13-17(14-23)9-10-24-21)15-28(16)22(30)19-5-3-4-6-20(19)29-25-11-12-26-29;1-15-6-7-17(26-20-12-16(13-22)8-9-23-20)14-27(15)21(29)18-4-2-3-5-19(18)28-24-10-11-25-28/h3-6,9-13,16,18H,7-8,15H2,1-2H3;2-5,8-12,15,17H,6-7,14H2,1H3,(H,23,26)/t16-,18-;15-,17-/m11/s1
InChIKeyJMHZPZAJJLXWCG-PPGWAGOMSA-N
MW788.92 g/mol
LogP5.30
Rot. Bonds8

About 2-[methyl-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-4-carbonitrile;2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-4-carbonitrile

2-[methyl-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-4-carbonitrile;2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-4-carbonitrile (PubChem CID 158958528) has the molecular formula C43H44N14O2 and a molecular weight of 788.92 g/mol. Its IUPAC name is 2-[methyl-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-4-carbonitrile;2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[methyl-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-4-carbonitrile;2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-4-carbonitrile
PubChem CID158958528
Molecular FormulaC43H44N14O2
Molecular Weight788.92 g/mol
Exact Mass788.38
IUPAC Name2-[methyl-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-4-carbonitrile;2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-4-carbonitrile
SMILESC[C@@H]1CC[C@@H](N(C)c2cc(C#N)ccn2)CN1C(=O)c1ccccc1-n1nccn1.C[C@@H]1CC[C@@H](Nc2cc(C#N)ccn2)CN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C22H23N7O.C21H21N7O/c1-16-7-8-18(27(2)21-13-17(14-23)9-10-24-21)15-28(16)22(30)19-5-3-4-6-20(19)29-25-11-12-26-29;1-15-6-7-17(26-20-12-16(13-22)8-9-23-20)14-27(15)21(29)18-4-2-3-5-19(18)28-24-10-11-25-28/h3-6,9-13,16,18H,7-8,15H2,1-2H3;2-5,8-12,15,17H,6-7,14H2,1H3,(H,23,26)/t16-,18-;15-,17-/m11/s1
InChIKeyJMHZPZAJJLXWCG-PPGWAGOMSA-N
XLogP5.30
TPSA190.67 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500788.92
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 2-[methyl-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-4-carbonitrile;2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-4-carbonitrile with MolForge

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Related Compounds

2-(((3R,6R)-1-(2-(2H-1,2,3-triazol-2-yl)benzoyl)-6-methylpiperidin-3-yl)amino)isonicotinonitrile
CID 76072813
[2-(Triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyridin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90445454
[(2R,5R)-5-(isoquinolin-1-ylamino)-2-methylpiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 46213339
4-[[(3S,4S)-1-(5-cyano-2-pyridinyl)-4-ethylpyrrolidin-3-yl]amino]-6-(1-methyl-6-oxo-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 91937370
(R)-4-((6-(4-acetamido-piperidin-1-yl)pyridin-3-yl)amino)-6-(3-cyano-pyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl) nicotinamide
CID 138703826
2-[4-[[3,5-dimethyl-6-[4-(1H-pyrazolo[4,3-c]pyridin-7-yl)piperazine-1-carbonyl]-2-pyridinyl]amino]piperidin-1-yl]benzonitrile
CID 168298767
[2-(Triazol-2-yl)phenyl]-[6-[[5-(trifluoromethyl)pyridin-2-yl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 86270752
[3-Methyl-2-(triazol-2-yl)phenyl]-[6-[[5-(trifluoromethyl)pyridin-2-yl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 86270754
[5-Fluoro-2-(triazol-2-yl)phenyl]-[6-[[5-(trifluoromethyl)pyridin-2-yl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 86270842
(+/-)-trans-(2-(2H-1,2,3-triazol-2-yl)phenyl)(2-methyl-3-((5-(trifluoromethyl)pyridin-2-yl)amino)piperidin-1-yl)methanone
CID 86271014
[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyridin-2-yl]amino]piperidin-1-yl]methanone
CID 86271016
[3-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyridin-2-yl]amino]piperidin-1-yl]methanone
CID 86271017

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-4-carbonitrile;2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-4-carbonitrile?
The IUPAC name of 2-[methyl-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-4-carbonitrile;2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-4-carbonitrile (CID 158958528) is 2-[methyl-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-4-carbonitrile;2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[methyl-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-4-carbonitrile;2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[methyl-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-4-carbonitrile;2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-4-carbonitrile is C[C@@H]1CC[C@@H](N(C)c2cc(C#N)ccn2)CN1C(=O)c1ccccc1-n1nccn1.C[C@@H]1CC[C@@H](Nc2cc(C#N)ccn2)CN1C(=O)c1ccccc1-n1nccn1.
What is the InChIKey of 2-[methyl-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-4-carbonitrile;2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-4-carbonitrile?
The InChIKey is JMHZPZAJJLXWCG-PPGWAGOMSA-N. The full InChI is InChI=1S/C22H23N7O.C21H21N7O/c1-16-7-8-18(27(2)21-13-17(14-23)9-10-24-21)15-28(16)22(30)19-5-3-4-6-20(19)29-25-11-12-26-29;1-15-6-7-17(26-20-12-16(13-22)8-9-23-20)14-27(15)21(29)18-4-2-3-5-19(18)28-24-10-11-25-28/h3-6,9-13,16,18H,7-8,15H2,1-2H3;2-5,8-12,15,17H,6-7,14H2,1H3,(H,23,26)/t16-,18-;15-,17-/m11/s1.
What are the key properties of 2-[methyl-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-4-carbonitrile;2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-4-carbonitrile?
2-[methyl-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-4-carbonitrile;2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-4-carbonitrile has a molecular weight of 788.92 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-4-carbonitrile;2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-4-carbonitrile is sourced from PubChem (CID 158958528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).