2,2-diethyl-4-[(2-methyl-3-pyridinyl)amino]-4-oxobutanoic acid

C14H20N2O3 — CID 79041968

IUPAC2,2-diethyl-4-[(2-methyl-3-pyridinyl)amino]-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)Nc1cccnc1C)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-4-14(5-2,13(18)19)9-12(17)16-11-7-6-8-15-10(11)3/h6-8H,4-5,9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyVCLVHXZPPLYIDT-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.61
Rot. Bonds6

About 2,2-diethyl-4-[(2-methyl-3-pyridinyl)amino]-4-oxobutanoic acid

2,2-diethyl-4-[(2-methyl-3-pyridinyl)amino]-4-oxobutanoic acid (PubChem CID 79041968) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2,2-diethyl-4-[(2-methyl-3-pyridinyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2-diethyl-4-[(2-methyl-3-pyridinyl)amino]-4-oxobutanoic acid
PubChem CID79041968
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2,2-diethyl-4-[(2-methyl-3-pyridinyl)amino]-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)Nc1cccnc1C)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-4-14(5-2,13(18)19)9-12(17)16-11-7-6-8-15-10(11)3/h6-8H,4-5,9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyVCLVHXZPPLYIDT-UHFFFAOYSA-N
XLogP2.61
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

N-(2-methyl-3-pyridinyl)-2-sulfanylacetamide
CID 79044042
3-amino-N-(2-methyl-3-pyridinyl)propanamide
CID 79042008
4-[2-(diethylcarbamoyl)anilino]-2,2-diethyl-4-oxobutanoic acid
CID 47704268
2,2-diethyl-4-(2-ethylsulfanylanilino)-4-oxobutanoic acid
CID 60933601
3-amino-N-(2-methyl-3-pyridinyl)-3-sulfanylidenepropanamide
CID 79043985
N-(2-methyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide
CID 79044146
4-chloro-N-(2-methyl-3-pyridinyl)butanamide
CID 79042686
2-ethyl-2-[[(2-methylpyridine-3-carbonyl)amino]methyl]butanoic acid
CID 115429550
2-cyano-2-ethyl-N-(2-methyl-3-pyridinyl)butanamide
CID 79043546
2-(benzhydrylamino)-N-(2-methyl-3-pyridinyl)acetamide
CID 168957839
2,2-diethyl-4-(2-methyl-5-methylsulfonylanilino)-4-oxobutanoic acid
CID 41391421
2-(cyclopropylamino)-N-(2-methyl-3-pyridinyl)acetamide
CID 79043374

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-[(2-methyl-3-pyridinyl)amino]-4-oxobutanoic acid?
The IUPAC name of 2,2-diethyl-4-[(2-methyl-3-pyridinyl)amino]-4-oxobutanoic acid (CID 79041968) is 2,2-diethyl-4-[(2-methyl-3-pyridinyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 2,2-diethyl-4-[(2-methyl-3-pyridinyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 2,2-diethyl-4-[(2-methyl-3-pyridinyl)amino]-4-oxobutanoic acid is CCC(CC)(CC(=O)Nc1cccnc1C)C(=O)O.
What is the InChIKey of 2,2-diethyl-4-[(2-methyl-3-pyridinyl)amino]-4-oxobutanoic acid?
The InChIKey is VCLVHXZPPLYIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-14(5-2,13(18)19)9-12(17)16-11-7-6-8-15-10(11)3/h6-8H,4-5,9H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2,2-diethyl-4-[(2-methyl-3-pyridinyl)amino]-4-oxobutanoic acid?
2,2-diethyl-4-[(2-methyl-3-pyridinyl)amino]-4-oxobutanoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-[(2-methyl-3-pyridinyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 79041968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).