6-tert-butylpyridine-3-carboxamide;ethane

C12H20N2O — CID 144695705

IUPAC6-tert-butylpyridine-3-carboxamide;ethane
SMILESCC.CC(C)(C)c1ccc(C(N)=O)cn1
InChIInChI=1S/C10H14N2O.C2H6/c1-10(2,3)8-5-4-7(6-12-8)9(11)13;1-2/h4-6H,1-3H3,(H2,11,13);1-2H3
InChIKeyVYFJQGXXLVNUOK-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.50
Rot. Bonds1

About 6-tert-butylpyridine-3-carboxamide;ethane

6-tert-butylpyridine-3-carboxamide;ethane (PubChem CID 144695705) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 6-tert-butylpyridine-3-carboxamide;ethane.

Molecular Properties

Compound Name6-tert-butylpyridine-3-carboxamide;ethane
PubChem CID144695705
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name6-tert-butylpyridine-3-carboxamide;ethane
SMILESCC.CC(C)(C)c1ccc(C(N)=O)cn1
InChIInChI=1S/C10H14N2O.C2H6/c1-10(2,3)8-5-4-7(6-12-8)9(11)13;1-2/h4-6H,1-3H3,(H2,11,13);1-2H3
InChIKeyVYFJQGXXLVNUOK-UHFFFAOYSA-N
XLogP2.50
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-tert-butyl-3-pyridinyl) carbamate
CID 175536069
azetidin-1-yl-(6-tert-butyl-3-pyridinyl)methanone
CID 59743869
1-(6-tert-butyl-3-pyridinyl)-4-methylpentan-1-one
CID 159501788
(6-tert-butyl-3-pyridinyl)-pyridin-2-ylmethanone
CID 59744024
6-tert-butyl-N-cyclohexylpyridine-3-carboxamide
CID 20709646
lithium 5-carbamoylpyridine-2-carboxylate
CID 157023289
6-methylsulfinylpyridine-3-carboxamide
CID 119092995
6-propan-2-ylpyridine-3-carboxamide
CID 821161
(2E)-2-[(6-tert-butyl-3-pyridinyl)-hydroxymethylidene]-4-methoxy-3-oxobutanenitrile
CID 135156158
6-chloropyridine-3-carboxamide;dihydrochloride
CID 87764201
1-[6-(1,1-difluoroethyl)-3-pyridinyl]ethanone
CID 126484044
6-prop-1-en-2-ylpyridine-3-carboxamide
CID 123173194

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylpyridine-3-carboxamide;ethane?
The IUPAC name of 6-tert-butylpyridine-3-carboxamide;ethane (CID 144695705) is 6-tert-butylpyridine-3-carboxamide;ethane.
What is the SMILES notation for 6-tert-butylpyridine-3-carboxamide;ethane?
The canonical SMILES for 6-tert-butylpyridine-3-carboxamide;ethane is CC.CC(C)(C)c1ccc(C(N)=O)cn1.
What is the InChIKey of 6-tert-butylpyridine-3-carboxamide;ethane?
The InChIKey is VYFJQGXXLVNUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O.C2H6/c1-10(2,3)8-5-4-7(6-12-8)9(11)13;1-2/h4-6H,1-3H3,(H2,11,13);1-2H3.
What are the key properties of 6-tert-butylpyridine-3-carboxamide;ethane?
6-tert-butylpyridine-3-carboxamide;ethane has a molecular weight of 208.30 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylpyridine-3-carboxamide;ethane is sourced from PubChem (CID 144695705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).