1-(5-cyano-6-methylpyridine-2-carbonyl)-5-methylpiperidine-3-carboxylic acid

C15H17N3O3 — CID 122117621

IUPAC1-(5-cyano-6-methylpyridine-2-carbonyl)-5-methylpiperidine-3-carboxylic acid
SMILESCc1nc(C(=O)N2CC(C)CC(C(=O)O)C2)ccc1C#N
InChIInChI=1S/C15H17N3O3/c1-9-5-12(15(20)21)8-18(7-9)14(19)13-4-3-11(6-16)10(2)17-13/h3-4,9,12H,5,7-8H2,1-2H3,(H,20,21)
InChIKeyXMBYUKVHYAZHCV-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.44
Rot. Bonds2

About 1-(5-cyano-6-methylpyridine-2-carbonyl)-5-methylpiperidine-3-carboxylic acid

1-(5-cyano-6-methylpyridine-2-carbonyl)-5-methylpiperidine-3-carboxylic acid (PubChem CID 122117621) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-(5-cyano-6-methylpyridine-2-carbonyl)-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-cyano-6-methylpyridine-2-carbonyl)-5-methylpiperidine-3-carboxylic acid
PubChem CID122117621
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-(5-cyano-6-methylpyridine-2-carbonyl)-5-methylpiperidine-3-carboxylic acid
SMILESCc1nc(C(=O)N2CC(C)CC(C(=O)O)C2)ccc1C#N
InChIInChI=1S/C15H17N3O3/c1-9-5-12(15(20)21)8-18(7-9)14(19)13-4-3-11(6-16)10(2)17-13/h3-4,9,12H,5,7-8H2,1-2H3,(H,20,21)
InChIKeyXMBYUKVHYAZHCV-UHFFFAOYSA-N
XLogP1.44
TPSA94.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-6-methylpyridine-2-carboxylic acid;ethane
CID 143901939
1-(5-cyano-6-methylpyridine-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 119112051
5-methyl-1-(4-nitrobenzoyl)piperidine-3-carboxylic acid
CID 122119619
1-(3,4-dimethylbenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119496
(2S,3aS,7aS)-1-(5-cyano-6-methylpyridine-2-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 129467155
2-methyl-6-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile
CID 124606695
5-methyl-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxylic acid
CID 122118114
1-[(4-cyano-3-fluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103154
5-methyl-1-(4-methylsulfanylbenzoyl)piperidine-3-carboxylic acid
CID 122119170
5-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 122117858
1-(3-fluoro-5-methylbenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122118872
1-(2,4-dimethylbenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119554

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-6-methylpyridine-2-carbonyl)-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(5-cyano-6-methylpyridine-2-carbonyl)-5-methylpiperidine-3-carboxylic acid (CID 122117621) is 1-(5-cyano-6-methylpyridine-2-carbonyl)-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-cyano-6-methylpyridine-2-carbonyl)-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(5-cyano-6-methylpyridine-2-carbonyl)-5-methylpiperidine-3-carboxylic acid is Cc1nc(C(=O)N2CC(C)CC(C(=O)O)C2)ccc1C#N.
What is the InChIKey of 1-(5-cyano-6-methylpyridine-2-carbonyl)-5-methylpiperidine-3-carboxylic acid?
The InChIKey is XMBYUKVHYAZHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9-5-12(15(20)21)8-18(7-9)14(19)13-4-3-11(6-16)10(2)17-13/h3-4,9,12H,5,7-8H2,1-2H3,(H,20,21).
What are the key properties of 1-(5-cyano-6-methylpyridine-2-carbonyl)-5-methylpiperidine-3-carboxylic acid?
1-(5-cyano-6-methylpyridine-2-carbonyl)-5-methylpiperidine-3-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-6-methylpyridine-2-carbonyl)-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122117621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).