1-tert-butyl-5-methyl-2H-pyridine-6-carboxamide

C11H18N2O — CID 67937187

IUPAC1-tert-butyl-5-methyl-2H-pyridine-6-carboxamide
SMILESCC1=C(C(N)=O)N(C(C)(C)C)CC=C1
InChIInChI=1S/C11H18N2O/c1-8-6-5-7-13(11(2,3)4)9(8)10(12)14/h5-6H,7H2,1-4H3,(H2,12,14)
InChIKeyGLSXEWFFJHNUMK-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.42
Rot. Bonds1

About 1-tert-butyl-5-methyl-2H-pyridine-6-carboxamide

1-tert-butyl-5-methyl-2H-pyridine-6-carboxamide (PubChem CID 67937187) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-tert-butyl-5-methyl-2H-pyridine-6-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-methyl-2H-pyridine-6-carboxamide
PubChem CID67937187
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-tert-butyl-5-methyl-2H-pyridine-6-carboxamide
SMILESCC1=C(C(N)=O)N(C(C)(C)C)CC=C1
InChIInChI=1S/C11H18N2O/c1-8-6-5-7-13(11(2,3)4)9(8)10(12)14/h5-6H,7H2,1-4H3,(H2,12,14)
InChIKeyGLSXEWFFJHNUMK-UHFFFAOYSA-N
XLogP1.42
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 22093028
3-Amino-1,4,6-trimethylpyridin-2-one
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(4,6-Dimethyl-2-oxo-1-propan-2-yl-3-pyridinyl)azanide;tungsten
CID 59885533
3-(dimethylamino)-4,5,6-trimethyl-1H-pyridin-2-one
CID 59975106
(E)-2-[bis(prop-2-enyl)amino]pent-2-enamide
CID 87793592
(E)-2-[bis(prop-2-enyl)amino]hex-2-enamide
CID 88330834
2-(5-methyl-2H-pyridin-1-yl)prop-2-enamide
CID 121360942
N-(2,4-dimethylocta-1,3,5-trien-3-yl)-2-[ethyl(methyl)amino]acetamide
CID 123491190
3-Amino-4-ethyl-1,6-dimethylpyridin-2-one
CID 123728838
N,4-dimethyl-2-(4-methyl-2-methylidene-1-pyridinyl)pent-2-enamide
CID 123946513
2-[[(3E)-hexa-1,3-dien-3-yl]-methylamino]acetamide
CID 129095090
2-(diethylamino)-N-(2,7-dimethylcyclohepta-1,3,6-trien-1-yl)acetamide
CID 130180921

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-methyl-2H-pyridine-6-carboxamide?
The IUPAC name of 1-tert-butyl-5-methyl-2H-pyridine-6-carboxamide (CID 67937187) is 1-tert-butyl-5-methyl-2H-pyridine-6-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-methyl-2H-pyridine-6-carboxamide?
The canonical SMILES for 1-tert-butyl-5-methyl-2H-pyridine-6-carboxamide is CC1=C(C(N)=O)N(C(C)(C)C)CC=C1.
What is the InChIKey of 1-tert-butyl-5-methyl-2H-pyridine-6-carboxamide?
The InChIKey is GLSXEWFFJHNUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8-6-5-7-13(11(2,3)4)9(8)10(12)14/h5-6H,7H2,1-4H3,(H2,12,14).
What are the key properties of 1-tert-butyl-5-methyl-2H-pyridine-6-carboxamide?
1-tert-butyl-5-methyl-2H-pyridine-6-carboxamide has a molecular weight of 194.28 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-methyl-2H-pyridine-6-carboxamide is sourced from PubChem (CID 67937187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).