N-tert-butyl-6-ethoxypyridine-3-carboxamide

C12H18N2O2 — CID 47244667

IUPACN-tert-butyl-6-ethoxypyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)NC(C)(C)C)cn1
InChIInChI=1S/C12H18N2O2/c1-5-16-10-7-6-9(8-13-10)11(15)14-12(2,3)4/h6-8H,5H2,1-4H3,(H,14,15)
InChIKeyNMEQWMHLIIXIIS-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.01
Rot. Bonds3

About N-tert-butyl-6-ethoxypyridine-3-carboxamide

N-tert-butyl-6-ethoxypyridine-3-carboxamide (PubChem CID 47244667) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-tert-butyl-6-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-ethoxypyridine-3-carboxamide
PubChem CID47244667
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-tert-butyl-6-ethoxypyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)NC(C)(C)C)cn1
InChIInChI=1S/C12H18N2O2/c1-5-16-10-7-6-9(8-13-10)11(15)14-12(2,3)4/h6-8H,5H2,1-4H3,(H,14,15)
InChIKeyNMEQWMHLIIXIIS-UHFFFAOYSA-N
XLogP2.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-6-(fluoromethyl)pyridine-3-carboxamide
CID 90777305
6-ethoxy-N-(2-methyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 87010730
6-ethoxy-N-(2-methoxypyrimidin-5-yl)pyridine-3-carboxamide
CID 122301635
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methoxypyridine-3-carboxamide
CID 107845114
N-(1-amino-2-methylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 119523407
N-(3-butoxypropyl)-6-ethoxypyridine-3-carboxamide
CID 87002141
methyl 2-[(6-methoxypyridine-3-carbonyl)amino]-2-methylpentanoate
CID 43431490
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-6-ethoxypyridine-3-carboxamide
CID 94034384
2-(6-ethoxy-3-pyridinyl)pyrimidine-5-carboxylic acid
CID 71093777
N-methyl-6-propoxypyridine-3-carboxamide
CID 66904923
N-[4-(2-amino-2-oxoethyl)phenyl]-6-ethoxypyridine-3-carboxamide
CID 87002406
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-ethoxypyridine-3-carboxamide
CID 111335304

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-ethoxypyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-6-ethoxypyridine-3-carboxamide (CID 47244667) is N-tert-butyl-6-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-6-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-6-ethoxypyridine-3-carboxamide is CCOc1ccc(C(=O)NC(C)(C)C)cn1.
What is the InChIKey of N-tert-butyl-6-ethoxypyridine-3-carboxamide?
The InChIKey is NMEQWMHLIIXIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-5-16-10-7-6-9(8-13-10)11(15)14-12(2,3)4/h6-8H,5H2,1-4H3,(H,14,15).
What are the key properties of N-tert-butyl-6-ethoxypyridine-3-carboxamide?
N-tert-butyl-6-ethoxypyridine-3-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 47244667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).