N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide

C17H22N4O — CID 171335504

IUPACN-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide
SMILESCN(C(=O)C1CCC1)C1CCN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C17H22N4O/c1-20(17(22)14-3-2-4-14)15-7-9-21(10-8-15)16-6-5-13(11-18)12-19-16/h5-6,12,14-15H,2-4,7-10H2,1H3
InChIKeyJDFZBFGASAZTPZ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.18
Rot. Bonds3

About N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide

N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide (PubChem CID 171335504) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide
PubChem CID171335504
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide
SMILESCN(C(=O)C1CCC1)C1CCN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C17H22N4O/c1-20(17(22)14-3-2-4-14)15-7-9-21(10-8-15)16-6-5-13(11-18)12-19-16/h5-6,12,14-15H,2-4,7-10H2,1H3
InChIKeyJDFZBFGASAZTPZ-UHFFFAOYSA-N
XLogP2.18
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide
CID 51300981
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 43430337
1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-3-carboxamide
CID 47085267
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
methyl 4-[[4-(5-cyano-2-pyridinyl)piperazine-1-carbonyl]-methylamino]cyclohexane-1-carboxylate
CID 19391680
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342
6-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 17449663
6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile
CID 26035276
1-(5-cyano-2-pyridinyl)-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide
CID 155946088
fluoromethane;6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 169148538
6-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 166602459
1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 47137770

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide?
The IUPAC name of N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide (CID 171335504) is N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide.
What is the SMILES notation for N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide?
The canonical SMILES for N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide is CN(C(=O)C1CCC1)C1CCN(c2ccc(C#N)cn2)CC1.
What is the InChIKey of N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide?
The InChIKey is JDFZBFGASAZTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-20(17(22)14-3-2-4-14)15-7-9-21(10-8-15)16-6-5-13(11-18)12-19-16/h5-6,12,14-15H,2-4,7-10H2,1H3.
What are the key properties of N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide?
N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide is sourced from PubChem (CID 171335504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).