2,6-dimethyl-N-[4-(oxolan-2-yl)butyl]pyridine-4-carboxamide

C16H24N2O2 — CID 131899729

IUPAC2,6-dimethyl-N-[4-(oxolan-2-yl)butyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCCCC2CCCO2)cc(C)n1
InChIInChI=1S/C16H24N2O2/c1-12-10-14(11-13(2)18-12)16(19)17-8-4-3-6-15-7-5-9-20-15/h10-11,15H,3-9H2,1-2H3,(H,17,19)
InChIKeySRJPANADQAWXBU-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.78
Rot. Bonds6

About 2,6-dimethyl-N-[4-(oxolan-2-yl)butyl]pyridine-4-carboxamide

2,6-dimethyl-N-[4-(oxolan-2-yl)butyl]pyridine-4-carboxamide (PubChem CID 131899729) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2,6-dimethyl-N-[4-(oxolan-2-yl)butyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[4-(oxolan-2-yl)butyl]pyridine-4-carboxamide
PubChem CID131899729
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2,6-dimethyl-N-[4-(oxolan-2-yl)butyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCCCC2CCCO2)cc(C)n1
InChIInChI=1S/C16H24N2O2/c1-12-10-14(11-13(2)18-12)16(19)17-8-4-3-6-15-7-5-9-20-15/h10-11,15H,3-9H2,1-2H3,(H,17,19)
InChIKeySRJPANADQAWXBU-UHFFFAOYSA-N
XLogP2.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-methyl-N-[2-(oxan-2-yl)ethyl]pyridine-4-carboxamide
CID 104952816
6-methyl-N-[4-(oxolan-2-yl)butyl]pyridine-3-carboxamide
CID 135119031
4-(2-amino-6-methyl-3-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide
CID 126424281
7-methyl-N-[4-[(2S)-oxolan-2-yl]butyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
CID 126435888
4-(hydroxymethyl)-5-methyl-N-[4-(oxolan-2-yl)butyl]-1,2-oxazole-3-carboxamide
CID 131921315
2-amino-6-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 55042052
N-[4-[(2R)-oxolan-2-yl]butyl]isoquinoline-1-carboxamide
CID 126435802
5-chloro-N-[4-(oxolan-2-yl)butyl]pyridine-2-carboxamide
CID 131894667
3-(6-methoxypyridazin-3-yl)-N-[4-(oxolan-2-yl)butyl]benzamide
CID 118773753
3-[6-(methylamino)pyridazin-3-yl]-N-[4-(oxolan-2-yl)butyl]benzamide
CID 122556166
1-methyl-3-(2-methylpropyl)-N-[4-[(2S)-oxolan-2-yl]butyl]pyrazole-5-carboxamide
CID 96580843
N-(3-cyclopentyloxypropyl)-2,6-dimethylpyridine-4-carboxamide
CID 77084205

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[4-(oxolan-2-yl)butyl]pyridine-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[4-(oxolan-2-yl)butyl]pyridine-4-carboxamide (CID 131899729) is 2,6-dimethyl-N-[4-(oxolan-2-yl)butyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[4-(oxolan-2-yl)butyl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[4-(oxolan-2-yl)butyl]pyridine-4-carboxamide is Cc1cc(C(=O)NCCCCC2CCCO2)cc(C)n1.
What is the InChIKey of 2,6-dimethyl-N-[4-(oxolan-2-yl)butyl]pyridine-4-carboxamide?
The InChIKey is SRJPANADQAWXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-10-14(11-13(2)18-12)16(19)17-8-4-3-6-15-7-5-9-20-15/h10-11,15H,3-9H2,1-2H3,(H,17,19).
What are the key properties of 2,6-dimethyl-N-[4-(oxolan-2-yl)butyl]pyridine-4-carboxamide?
2,6-dimethyl-N-[4-(oxolan-2-yl)butyl]pyridine-4-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[4-(oxolan-2-yl)butyl]pyridine-4-carboxamide is sourced from PubChem (CID 131899729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).