1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidine-4-carboxamide

C14H18N4O — CID 1448096

IUPAC1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1cc(C)c(C#N)c(N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C14H18N4O/c1-9-7-10(2)17-14(12(9)8-15)18-5-3-11(4-6-18)13(16)19/h7,11H,3-6H2,1-2H3,(H2,16,19)
InChIKeyGHQTUHAKHQCCBP-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.27
Rot. Bonds2

About 1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidine-4-carboxamide

1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 1448096) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID1448096
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1cc(C)c(C#N)c(N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C14H18N4O/c1-9-7-10(2)17-14(12(9)8-15)18-5-3-11(4-6-18)13(16)19/h7,11H,3-6H2,1-2H3,(H2,16,19)
InChIKeyGHQTUHAKHQCCBP-UHFFFAOYSA-N
XLogP1.27
TPSA83.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidine-4-carboxamide (CID 1448096) is 1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidine-4-carboxamide is Cc1cc(C)c(C#N)c(N2CCC(C(N)=O)CC2)n1.
What is the InChIKey of 1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is GHQTUHAKHQCCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-7-10(2)17-14(12(9)8-15)18-5-3-11(4-6-18)13(16)19/h7,11H,3-6H2,1-2H3,(H2,16,19).
What are the key properties of 1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidine-4-carboxamide?
1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 1448096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).