N-[1-(2,3-dimethyl-4-pyridinyl)ethyl]cyclohexanecarboxamide

C16H24N2O — CID 70387976

IUPACN-[1-(2,3-dimethyl-4-pyridinyl)ethyl]cyclohexanecarboxamide
SMILESCc1nccc(C(C)NC(=O)C2CCCCC2)c1C
InChIInChI=1S/C16H24N2O/c1-11-12(2)17-10-9-15(11)13(3)18-16(19)14-7-5-4-6-8-14/h9-10,13-14H,4-8H2,1-3H3,(H,18,19)
InChIKeyDGKJATNPSBETKR-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.46
Rot. Bonds3

About N-[1-(2,3-dimethyl-4-pyridinyl)ethyl]cyclohexanecarboxamide

N-[1-(2,3-dimethyl-4-pyridinyl)ethyl]cyclohexanecarboxamide (PubChem CID 70387976) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[1-(2,3-dimethyl-4-pyridinyl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(2,3-dimethyl-4-pyridinyl)ethyl]cyclohexanecarboxamide
PubChem CID70387976
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[1-(2,3-dimethyl-4-pyridinyl)ethyl]cyclohexanecarboxamide
SMILESCc1nccc(C(C)NC(=O)C2CCCCC2)c1C
InChIInChI=1S/C16H24N2O/c1-11-12(2)17-10-9-15(11)13(3)18-16(19)14-7-5-4-6-8-14/h9-10,13-14H,4-8H2,1-3H3,(H,18,19)
InChIKeyDGKJATNPSBETKR-UHFFFAOYSA-N
XLogP3.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dimethyl-4-pyridinyl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(2,3-dimethyl-4-pyridinyl)ethyl]cyclohexanecarboxamide (CID 70387976) is N-[1-(2,3-dimethyl-4-pyridinyl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(2,3-dimethyl-4-pyridinyl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(2,3-dimethyl-4-pyridinyl)ethyl]cyclohexanecarboxamide is Cc1nccc(C(C)NC(=O)C2CCCCC2)c1C.
What is the InChIKey of N-[1-(2,3-dimethyl-4-pyridinyl)ethyl]cyclohexanecarboxamide?
The InChIKey is DGKJATNPSBETKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-12(2)17-10-9-15(11)13(3)18-16(19)14-7-5-4-6-8-14/h9-10,13-14H,4-8H2,1-3H3,(H,18,19).
What are the key properties of N-[1-(2,3-dimethyl-4-pyridinyl)ethyl]cyclohexanecarboxamide?
N-[1-(2,3-dimethyl-4-pyridinyl)ethyl]cyclohexanecarboxamide has a molecular weight of 260.38 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dimethyl-4-pyridinyl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 70387976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).