5-tert-butylpyridine-3-carboxamide

C10H14N2O — CID 59788901

IUPAC5-tert-butylpyridine-3-carboxamide
SMILESCC(C)(C)c1cncc(C(N)=O)c1
InChIInChI=1S/C10H14N2O/c1-10(2,3)8-4-7(9(11)13)5-12-6-8/h4-6H,1-3H3,(H2,11,13)
InChIKeyJLAALOFIKYOJCF-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.48
Rot. Bonds1

About 5-tert-butylpyridine-3-carboxamide

5-tert-butylpyridine-3-carboxamide (PubChem CID 59788901) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 5-tert-butylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-tert-butylpyridine-3-carboxamide
PubChem CID59788901
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name5-tert-butylpyridine-3-carboxamide
SMILESCC(C)(C)c1cncc(C(N)=O)c1
InChIInChI=1S/C10H14N2O/c1-10(2,3)8-4-7(9(11)13)5-12-6-8/h4-6H,1-3H3,(H2,11,13)
InChIKeyJLAALOFIKYOJCF-UHFFFAOYSA-N
XLogP1.48
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1,1-difluoroethyl)pyridine-3-carboxamide
CID 170579428
5-[(2R)-2-amino-1-hydroxypropan-2-yl]pyridine-3-carboxamide
CID 130640858
5-tert-butyl-N'-hydroxypyridine-3-carboximidamide
CID 122198369
3-(5-tert-butyl-3-pyridinyl)-3-oxopropanenitrile
CID 164967739
2-methylpropane;5-methylpyridine-3-carboxamide
CID 165136425
5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-3-carboxylic acid
CID 55276625
5-N-(1,3-dihydroxy-2-methylpropan-2-yl)pyridine-3,5-dicarboxamide
CID 150640847
3-tert-butyl-5-methylbenzamide
CID 59479391
3-tert-butyl-5-(trifluoromethyl)benzamide
CID 176746545
methyl 5-(2-hydroxypropan-2-yl)pyridine-3-carboxylate
CID 66684512
5-(trifluoromethylsulfanyl)pyridine-3-carboxamide
CID 119054574
ethyl 5-(2-methylbutan-2-yl)pyridine-3-carboxylate
CID 178133501

Frequently Asked Questions

What is the IUPAC name of 5-tert-butylpyridine-3-carboxamide?
The IUPAC name of 5-tert-butylpyridine-3-carboxamide (CID 59788901) is 5-tert-butylpyridine-3-carboxamide.
What is the SMILES notation for 5-tert-butylpyridine-3-carboxamide?
The canonical SMILES for 5-tert-butylpyridine-3-carboxamide is CC(C)(C)c1cncc(C(N)=O)c1.
What is the InChIKey of 5-tert-butylpyridine-3-carboxamide?
The InChIKey is JLAALOFIKYOJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-10(2,3)8-4-7(9(11)13)5-12-6-8/h4-6H,1-3H3,(H2,11,13).
What are the key properties of 5-tert-butylpyridine-3-carboxamide?
5-tert-butylpyridine-3-carboxamide has a molecular weight of 178.23 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylpyridine-3-carboxamide is sourced from PubChem (CID 59788901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).