1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-3-carboxamide

C14H18N4O — CID 47085267

IUPAC1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-3-carboxamide
SMILESCN(C)C(=O)C1CCCN(c2ccc(C#N)cn2)C1
InChIInChI=1S/C14H18N4O/c1-17(2)14(19)12-4-3-7-18(10-12)13-6-5-11(8-15)9-16-13/h5-6,9,12H,3-4,7,10H2,1-2H3
InChIKeyOVWKJOMMQCCDQJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.26
Rot. Bonds2

About 1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-3-carboxamide

1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-3-carboxamide (PubChem CID 47085267) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-3-carboxamide
PubChem CID47085267
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-3-carboxamide
SMILESCN(C)C(=O)C1CCCN(c2ccc(C#N)cn2)C1
InChIInChI=1S/C14H18N4O/c1-17(2)14(19)12-4-3-7-18(10-12)13-6-5-11(8-15)9-16-13/h5-6,9,12H,3-4,7,10H2,1-2H3
InChIKeyOVWKJOMMQCCDQJ-UHFFFAOYSA-N
XLogP1.26
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-3-carboxamide?
The IUPAC name of 1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-3-carboxamide (CID 47085267) is 1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-3-carboxamide?
The canonical SMILES for 1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-3-carboxamide is CN(C)C(=O)C1CCCN(c2ccc(C#N)cn2)C1.
What is the InChIKey of 1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-3-carboxamide?
The InChIKey is OVWKJOMMQCCDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-17(2)14(19)12-4-3-7-18(10-12)13-6-5-11(8-15)9-16-13/h5-6,9,12H,3-4,7,10H2,1-2H3.
What are the key properties of 1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-3-carboxamide?
1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 47085267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).