2,2-diethyl-4-[methyl(pyridin-4-yl)amino]-4-oxobutanoic acid

C14H20N2O3 — CID 106934627

IUPAC2,2-diethyl-4-[methyl(pyridin-4-yl)amino]-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)N(C)c1ccncc1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-4-14(5-2,13(18)19)10-12(17)16(3)11-6-8-15-9-7-11/h6-9H,4-5,10H2,1-3H3,(H,18,19)
InChIKeyVEXVULDUNMRKPF-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.33
Rot. Bonds6

About 2,2-diethyl-4-[methyl(pyridin-4-yl)amino]-4-oxobutanoic acid

2,2-diethyl-4-[methyl(pyridin-4-yl)amino]-4-oxobutanoic acid (PubChem CID 106934627) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2,2-diethyl-4-[methyl(pyridin-4-yl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2-diethyl-4-[methyl(pyridin-4-yl)amino]-4-oxobutanoic acid
PubChem CID106934627
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2,2-diethyl-4-[methyl(pyridin-4-yl)amino]-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)N(C)c1ccncc1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-4-14(5-2,13(18)19)10-12(17)16(3)11-6-8-15-9-7-11/h6-9H,4-5,10H2,1-3H3,(H,18,19)
InChIKeyVEXVULDUNMRKPF-UHFFFAOYSA-N
XLogP2.33
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-diethyl-4-[methyl(pyridin-4-ylmethyl)amino]-4-oxobutanoic acid
CID 43564268
N-methyl-N-pyridin-4-ylpropanamide
CID 59710602
2,2-diethyl-4-(3-hydroxy-N-methylanilino)-4-oxobutanoic acid
CID 107734007
methyl(pyridin-4-yl)carbamic acid
CID 54205463
3-hydroxy-N-methyl-N-pyridin-4-ylpropanamide
CID 90892089
2-(ethylamino)-N-methyl-N-pyridin-4-ylacetamide
CID 106935129
4-hydroxy-N-methyl-N-pyridin-4-ylbutanamide
CID 106937601
2-ethyl-2-[methyl(pyridin-4-ylmethyl)amino]butanoic acid
CID 114990218
2-(2-hydroxyphenyl)-N-methyl-N-pyridin-4-ylacetamide
CID 106936085
ethyl 2-[[methyl(pyridin-4-yl)carbamoyl]amino]acetate
CID 106936673
(2S)-2-amino-N,3-dimethyl-N-pyridin-4-ylpentanamide
CID 106935125
N-methyl-2-(prop-2-ynylamino)-N-pyridin-4-ylacetamide
CID 106935064

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-[methyl(pyridin-4-yl)amino]-4-oxobutanoic acid?
The IUPAC name of 2,2-diethyl-4-[methyl(pyridin-4-yl)amino]-4-oxobutanoic acid (CID 106934627) is 2,2-diethyl-4-[methyl(pyridin-4-yl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 2,2-diethyl-4-[methyl(pyridin-4-yl)amino]-4-oxobutanoic acid?
The canonical SMILES for 2,2-diethyl-4-[methyl(pyridin-4-yl)amino]-4-oxobutanoic acid is CCC(CC)(CC(=O)N(C)c1ccncc1)C(=O)O.
What is the InChIKey of 2,2-diethyl-4-[methyl(pyridin-4-yl)amino]-4-oxobutanoic acid?
The InChIKey is VEXVULDUNMRKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-14(5-2,13(18)19)10-12(17)16(3)11-6-8-15-9-7-11/h6-9H,4-5,10H2,1-3H3,(H,18,19).
What are the key properties of 2,2-diethyl-4-[methyl(pyridin-4-yl)amino]-4-oxobutanoic acid?
2,2-diethyl-4-[methyl(pyridin-4-yl)amino]-4-oxobutanoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-[methyl(pyridin-4-yl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 106934627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).