1-(3-cyano-2-pyridinyl)piperidine-4-carboxamide

C12H14N4O — CID 2813162

IUPAC1-(3-cyano-2-pyridinyl)piperidine-4-carboxamide
SMILESN#Cc1cccnc1N1CCC(C(N)=O)CC1
InChIInChI=1S/C12H14N4O/c13-8-10-2-1-5-15-12(10)16-6-3-9(4-7-16)11(14)17/h1-2,5,9H,3-4,6-7H2,(H2,14,17)
InChIKeyFWUQIBARTSKYEM-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.65
Rot. Bonds2

About 1-(3-cyano-2-pyridinyl)piperidine-4-carboxamide

1-(3-cyano-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 2813162) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-(3-cyano-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-cyano-2-pyridinyl)piperidine-4-carboxamide
PubChem CID2813162
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name1-(3-cyano-2-pyridinyl)piperidine-4-carboxamide
SMILESN#Cc1cccnc1N1CCC(C(N)=O)CC1
InChIInChI=1S/C12H14N4O/c13-8-10-2-1-5-15-12(10)16-6-3-9(4-7-16)11(14)17/h1-2,5,9H,3-4,6-7H2,(H2,14,17)
InChIKeyFWUQIBARTSKYEM-UHFFFAOYSA-N
XLogP0.65
TPSA83.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-cyano-2-pyridinyl)piperidine-4-carboxamide (CID 2813162) is 1-(3-cyano-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-cyano-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-cyano-2-pyridinyl)piperidine-4-carboxamide is N#Cc1cccnc1N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-(3-cyano-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is FWUQIBARTSKYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-8-10-2-1-5-15-12(10)16-6-3-9(4-7-16)11(14)17/h1-2,5,9H,3-4,6-7H2,(H2,14,17).
What are the key properties of 1-(3-cyano-2-pyridinyl)piperidine-4-carboxamide?
1-(3-cyano-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 2813162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).