2-[(2-amino-2-oxoethyl)-methylamino]-6-tert-butylpyridine-4-carboxylic acid

C13H19N3O3 — CID 113380129

IUPAC2-[(2-amino-2-oxoethyl)-methylamino]-6-tert-butylpyridine-4-carboxylic acid
SMILESCN(CC(N)=O)c1cc(C(=O)O)cc(C(C)(C)C)n1
InChIInChI=1S/C13H19N3O3/c1-13(2,3)9-5-8(12(18)19)6-11(15-9)16(4)7-10(14)17/h5-6H,7H2,1-4H3,(H2,14,17)(H,18,19)
InChIKeyWQDBXUZIBLBGJK-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.00
Rot. Bonds4

About 2-[(2-amino-2-oxoethyl)-methylamino]-6-tert-butylpyridine-4-carboxylic acid

2-[(2-amino-2-oxoethyl)-methylamino]-6-tert-butylpyridine-4-carboxylic acid (PubChem CID 113380129) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-methylamino]-6-tert-butylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-methylamino]-6-tert-butylpyridine-4-carboxylic acid
PubChem CID113380129
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[(2-amino-2-oxoethyl)-methylamino]-6-tert-butylpyridine-4-carboxylic acid
SMILESCN(CC(N)=O)c1cc(C(=O)O)cc(C(C)(C)C)n1
InChIInChI=1S/C13H19N3O3/c1-13(2,3)9-5-8(12(18)19)6-11(15-9)16(4)7-10(14)17/h5-6H,7H2,1-4H3,(H2,14,17)(H,18,19)
InChIKeyWQDBXUZIBLBGJK-UHFFFAOYSA-N
XLogP1.00
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2-amino-2-oxoethyl)-methylamino]-6-methylsulfonyl-4-pyridinyl]acetamide
CID 68567225
2-tert-butyl-6-methylsulfanylpyridine-4-carboxylic acid
CID 84690011
5-amino-6-[(2-amino-2-oxoethyl)-methylamino]pyridine-3-carboxylic acid
CID 81439195
2-[(6-tert-butylpyrimidin-4-yl)-methylamino]acetic acid
CID 126849037
2-(diethylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid
CID 165493427
2-[benzyl(methyl)amino]-6-chloropyridine-4-carboxylic acid
CID 43343644
2-tert-butyl-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-4-carboxylic acid
CID 107853573
2-chloro-6-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-4-carboxylic acid
CID 54998875
2-[2-hydroxypropyl(methyl)amino]-6-propylpyridine-4-carboxylic acid
CID 113380241
2-chloro-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid
CID 79858550
2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide
CID 80954139
2-[methyl-(4-methyl-2-pyridinyl)amino]acetamide
CID 130650937

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-methylamino]-6-tert-butylpyridine-4-carboxylic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-methylamino]-6-tert-butylpyridine-4-carboxylic acid (CID 113380129) is 2-[(2-amino-2-oxoethyl)-methylamino]-6-tert-butylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-methylamino]-6-tert-butylpyridine-4-carboxylic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-methylamino]-6-tert-butylpyridine-4-carboxylic acid is CN(CC(N)=O)c1cc(C(=O)O)cc(C(C)(C)C)n1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-methylamino]-6-tert-butylpyridine-4-carboxylic acid?
The InChIKey is WQDBXUZIBLBGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-13(2,3)9-5-8(12(18)19)6-11(15-9)16(4)7-10(14)17/h5-6H,7H2,1-4H3,(H2,14,17)(H,18,19).
What are the key properties of 2-[(2-amino-2-oxoethyl)-methylamino]-6-tert-butylpyridine-4-carboxylic acid?
2-[(2-amino-2-oxoethyl)-methylamino]-6-tert-butylpyridine-4-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-methylamino]-6-tert-butylpyridine-4-carboxylic acid is sourced from PubChem (CID 113380129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).