1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide

C13H16N4O — CID 47135971

IUPAC1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C13H16N4O/c1-15-13(18)11-4-6-17(7-5-11)12-3-2-10(8-14)9-16-12/h2-3,9,11H,4-7H2,1H3,(H,15,18)
InChIKeyXFZVKKCKDTWDOB-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.92
Rot. Bonds2

About 1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide

1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide (PubChem CID 47135971) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
PubChem CID47135971
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C13H16N4O/c1-15-13(18)11-4-6-17(7-5-11)12-3-2-10(8-14)9-16-12/h2-3,9,11H,4-7H2,1H3,(H,15,18)
InChIKeyXFZVKKCKDTWDOB-UHFFFAOYSA-N
XLogP0.92
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-cyano-2-pyridinyl)-N-[4-(methylamino)cyclohexyl]piperidine-4-carboxamide
CID 166298734
1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 47137770
1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide
CID 51300981
1-(5-cyano-2-pyridinyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 17443908
1-(5-cyano-2-pyridinyl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
CID 46525465
N-(1-adamantyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide
CID 16588026
1-(5-cyano-2-pyridinyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 16588037
1-(5-cyano-2-pyridinyl)-N-(2-methoxypropyl)piperidine-4-carboxamide
CID 155951044
N-tert-butyl-1-(5-cyano-2-pyridinyl)pyrrolidine-3-carboxamide
CID 172890918
6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile
CID 26035276
1-(5-cyano-2-pyridinyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 51314226
1-(5-cyano-2-pyridinyl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide
CID 51328372

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide (CID 47135971) is 1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(c2ccc(C#N)cn2)CC1.
What is the InChIKey of 1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is XFZVKKCKDTWDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-15-13(18)11-4-6-17(7-5-11)12-3-2-10(8-14)9-16-12/h2-3,9,11H,4-7H2,1H3,(H,15,18).
What are the key properties of 1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide?
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 47135971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).