6-methyl-N-[4-(oxolan-2-yl)butyl]pyridine-3-carboxamide

C15H22N2O2 — CID 135119031

IUPAC6-methyl-N-[4-(oxolan-2-yl)butyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCCC2CCCO2)cn1
InChIInChI=1S/C15H22N2O2/c1-12-7-8-13(11-17-12)15(18)16-9-3-2-5-14-6-4-10-19-14/h7-8,11,14H,2-6,9-10H2,1H3,(H,16,18)
InChIKeyJBYOYPBVXZGLEY-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.47
Rot. Bonds6

About 6-methyl-N-[4-(oxolan-2-yl)butyl]pyridine-3-carboxamide

6-methyl-N-[4-(oxolan-2-yl)butyl]pyridine-3-carboxamide (PubChem CID 135119031) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 6-methyl-N-[4-(oxolan-2-yl)butyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[4-(oxolan-2-yl)butyl]pyridine-3-carboxamide
PubChem CID135119031
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name6-methyl-N-[4-(oxolan-2-yl)butyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCCC2CCCO2)cn1
InChIInChI=1S/C15H22N2O2/c1-12-7-8-13(11-17-12)15(18)16-9-3-2-5-14-6-4-10-19-14/h7-8,11,14H,2-6,9-10H2,1H3,(H,16,18)
InChIKeyJBYOYPBVXZGLEY-UHFFFAOYSA-N
XLogP2.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.47
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

2,6-dimethyl-N-[4-(oxolan-2-yl)butyl]pyridine-4-carboxamide
CID 131899729
4-(2-amino-6-methyl-3-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide
CID 126424281
6-(ethylamino)-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 62176089
6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007
5-chloro-N-[4-(oxolan-2-yl)butyl]pyridine-2-carboxamide
CID 131894667
1-(6-methyl-3-pyridinyl)-3-(oxan-2-yl)propan-1-one
CID 114971598
N-(3-hydroxypropyl)-6-methylpyridine-3-carboxamide
CID 43417610
N-[4-[(2R)-oxolan-2-yl]butyl]isoquinoline-1-carboxamide
CID 126435802
4-(furan-2-yl)-N-[4-(oxolan-2-yl)butyl]benzamide
CID 91781260
7-methyl-N-[4-[(2S)-oxolan-2-yl]butyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
CID 126435888
3-(3-fluoro-2-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide
CID 126450624
4-(hydroxymethyl)-5-methyl-N-[4-(oxolan-2-yl)butyl]-1,2-oxazole-3-carboxamide
CID 131921315

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[4-(oxolan-2-yl)butyl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[4-(oxolan-2-yl)butyl]pyridine-3-carboxamide (CID 135119031) is 6-methyl-N-[4-(oxolan-2-yl)butyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[4-(oxolan-2-yl)butyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[4-(oxolan-2-yl)butyl]pyridine-3-carboxamide is Cc1ccc(C(=O)NCCCCC2CCCO2)cn1.
What is the InChIKey of 6-methyl-N-[4-(oxolan-2-yl)butyl]pyridine-3-carboxamide?
The InChIKey is JBYOYPBVXZGLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-7-8-13(11-17-12)15(18)16-9-3-2-5-14-6-4-10-19-14/h7-8,11,14H,2-6,9-10H2,1H3,(H,16,18).
What are the key properties of 6-methyl-N-[4-(oxolan-2-yl)butyl]pyridine-3-carboxamide?
6-methyl-N-[4-(oxolan-2-yl)butyl]pyridine-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[4-(oxolan-2-yl)butyl]pyridine-3-carboxamide is sourced from PubChem (CID 135119031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).