6-(3,3-dimethylbut-1-ynyl)-N-(3-propan-2-yloxyphenyl)pyridine-3-carboxamide

C21H24N2O2 — CID 59811370

IUPAC6-(3,3-dimethylbut-1-ynyl)-N-(3-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCC(C)Oc1cccc(NC(=O)c2ccc(C#CC(C)(C)C)nc2)c1
InChIInChI=1S/C21H24N2O2/c1-15(2)25-19-8-6-7-18(13-19)23-20(24)16-9-10-17(22-14-16)11-12-21(3,4)5/h6-10,13-15H,1-5H3,(H,23,24)
InChIKeyJERKOJBALOXFOQ-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.52
Rot. Bonds4

About 6-(3,3-dimethylbut-1-ynyl)-N-(3-propan-2-yloxyphenyl)pyridine-3-carboxamide

6-(3,3-dimethylbut-1-ynyl)-N-(3-propan-2-yloxyphenyl)pyridine-3-carboxamide (PubChem CID 59811370) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 6-(3,3-dimethylbut-1-ynyl)-N-(3-propan-2-yloxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3,3-dimethylbut-1-ynyl)-N-(3-propan-2-yloxyphenyl)pyridine-3-carboxamide
PubChem CID59811370
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name6-(3,3-dimethylbut-1-ynyl)-N-(3-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCC(C)Oc1cccc(NC(=O)c2ccc(C#CC(C)(C)C)nc2)c1
InChIInChI=1S/C21H24N2O2/c1-15(2)25-19-8-6-7-18(13-19)23-20(24)16-9-10-17(22-14-16)11-12-21(3,4)5/h6-10,13-15H,1-5H3,(H,23,24)
InChIKeyJERKOJBALOXFOQ-UHFFFAOYSA-N
XLogP4.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(3,3-dimethylbut-1-ynyl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 11544749
N-(4-chlorophenyl)-6-(3,3-dimethylbut-1-ynyl)pyridine-3-carboxamide
CID 59811252
4-propan-2-yloxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154760
4-methyl-N-(3-propan-2-yloxyphenyl)benzamide
CID 2989293
4-bromo-N-(3-propan-2-yloxyphenyl)benzamide
CID 54791087
N-(3-acetylphenyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 46460087
N-[3-(phenylcarbamoylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 55688052
2-N,5-N-bis(3-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1368781
3,4,5-trimethoxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154687
4-propan-2-yloxy-N-(3-propoxyphenyl)benzamide
CID 17096762
6-bromo-N-[3-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 66463307
6-propan-2-yloxy-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]pyridine-3-carboxamide
CID 55880611

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dimethylbut-1-ynyl)-N-(3-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(3,3-dimethylbut-1-ynyl)-N-(3-propan-2-yloxyphenyl)pyridine-3-carboxamide (CID 59811370) is 6-(3,3-dimethylbut-1-ynyl)-N-(3-propan-2-yloxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3,3-dimethylbut-1-ynyl)-N-(3-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3,3-dimethylbut-1-ynyl)-N-(3-propan-2-yloxyphenyl)pyridine-3-carboxamide is CC(C)Oc1cccc(NC(=O)c2ccc(C#CC(C)(C)C)nc2)c1.
What is the InChIKey of 6-(3,3-dimethylbut-1-ynyl)-N-(3-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The InChIKey is JERKOJBALOXFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15(2)25-19-8-6-7-18(13-19)23-20(24)16-9-10-17(22-14-16)11-12-21(3,4)5/h6-10,13-15H,1-5H3,(H,23,24).
What are the key properties of 6-(3,3-dimethylbut-1-ynyl)-N-(3-propan-2-yloxyphenyl)pyridine-3-carboxamide?
6-(3,3-dimethylbut-1-ynyl)-N-(3-propan-2-yloxyphenyl)pyridine-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethylbut-1-ynyl)-N-(3-propan-2-yloxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 59811370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).