2-methyl-6-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile

C18H22N6O — CID 124606695

IUPAC2-methyl-6-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile
SMILESCc1nc(C(=O)N2CCC[C@@H](c3nncn3C(C)C)C2)ccc1C#N
InChIInChI=1S/C18H22N6O/c1-12(2)24-11-20-22-17(24)15-5-4-8-23(10-15)18(25)16-7-6-14(9-19)13(3)21-16/h6-7,11-12,15H,4-5,8,10H2,1-3H3/t15-/m1/s1
InChIKeyNQQMHMSMHZDDJX-OAHLLOKOSA-N
MW338.42 g/mol
LogP2.45
Rot. Bonds3

About 2-methyl-6-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile

2-methyl-6-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile (PubChem CID 124606695) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 2-methyl-6-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile
PubChem CID124606695
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name2-methyl-6-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile
SMILESCc1nc(C(=O)N2CCC[C@@H](c3nncn3C(C)C)C2)ccc1C#N
InChIInChI=1S/C18H22N6O/c1-12(2)24-11-20-22-17(24)15-5-4-8-23(10-15)18(25)16-7-6-14(9-19)13(3)21-16/h6-7,11-12,15H,4-5,8,10H2,1-3H3/t15-/m1/s1
InChIKeyNQQMHMSMHZDDJX-OAHLLOKOSA-N
XLogP2.45
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-6-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

(1-benzyl-3,5-dimethylpyrazol-4-yl)-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 86935527
(2,5-difluorophenyl)-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 97019126
N-(3-chloro-4-cyanophenyl)-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 138994359
1-(5-cyano-6-methylpyridine-2-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122117621
[(3S)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 124682152
(2S,3S)-2-amino-3-methyl-1-[(3S)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pentan-1-one
CID 124684102
3-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 97086014
(2R,3S)-2-amino-3-methyl-1-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pentan-1-one
CID 124684418
[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 86906204
1-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 53192805
[3-(2-methylsulfanylimidazol-1-yl)phenyl]-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 86935515
3-cyclobutyl-4-propan-2-yl-1,2,4-triazole
CID 115393971

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile?
The IUPAC name of 2-methyl-6-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile (CID 124606695) is 2-methyl-6-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-methyl-6-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-methyl-6-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile is Cc1nc(C(=O)N2CCC[C@@H](c3nncn3C(C)C)C2)ccc1C#N.
What is the InChIKey of 2-methyl-6-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile?
The InChIKey is NQQMHMSMHZDDJX-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N6O/c1-12(2)24-11-20-22-17(24)15-5-4-8-23(10-15)18(25)16-7-6-14(9-19)13(3)21-16/h6-7,11-12,15H,4-5,8,10H2,1-3H3/t15-/m1/s1.
What are the key properties of 2-methyl-6-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile?
2-methyl-6-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile has a molecular weight of 338.42 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile is sourced from PubChem (CID 124606695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).