4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-6-methylpyridine-3-carboxylic acid

C14H21N3O3 — CID 81233163

IUPAC4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-6-methylpyridine-3-carboxylic acid
SMILESCCN(CC)C(=O)CN(C)c1cc(C)ncc1C(=O)O
InChIInChI=1S/C14H21N3O3/c1-5-17(6-2)13(18)9-16(4)12-7-10(3)15-8-11(12)14(19)20/h7-8H,5-6,9H2,1-4H3,(H,19,20)
InChIKeyUAIVGEOOQPZLFW-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.39
Rot. Bonds6

About 4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-6-methylpyridine-3-carboxylic acid

4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-6-methylpyridine-3-carboxylic acid (PubChem CID 81233163) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-6-methylpyridine-3-carboxylic acid
PubChem CID81233163
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-6-methylpyridine-3-carboxylic acid
SMILESCCN(CC)C(=O)CN(C)c1cc(C)ncc1C(=O)O
InChIInChI=1S/C14H21N3O3/c1-5-17(6-2)13(18)9-16(4)12-7-10(3)15-8-11(12)14(19)20/h7-8H,5-6,9H2,1-4H3,(H,19,20)
InChIKeyUAIVGEOOQPZLFW-UHFFFAOYSA-N
XLogP1.39
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-6-methylpyridine-3-carboxylic acid with MolForge

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Related Compounds

6-methyl-4-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboxylic acid
CID 81233138
6-methyl-4-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 81232216
6-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboxylic acid
CID 81244047
4-(dipropylamino)-6-methylpyridine-3-carboxylic acid
CID 81233201
4-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-3-carboxylic acid
CID 104552262
5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxylic acid
CID 114919354
4-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81244760
4-[2-ethoxyethyl(ethyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81244374
6-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid
CID 81243730
4-[3-(diethylamino)propyl-ethylamino]-6-methylpyridine-3-carboxylic acid
CID 102994015
4-[(4-methoxyphenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid
CID 81229074
4-[ethyl(pyridin-4-ylmethyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81233499

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-6-methylpyridine-3-carboxylic acid (CID 81233163) is 4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-6-methylpyridine-3-carboxylic acid is CCN(CC)C(=O)CN(C)c1cc(C)ncc1C(=O)O.
What is the InChIKey of 4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-6-methylpyridine-3-carboxylic acid?
The InChIKey is UAIVGEOOQPZLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-5-17(6-2)13(18)9-16(4)12-7-10(3)15-8-11(12)14(19)20/h7-8H,5-6,9H2,1-4H3,(H,19,20).
What are the key properties of 4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-6-methylpyridine-3-carboxylic acid?
4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-6-methylpyridine-3-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 81233163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).