2-[[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]methyl]-2-ethylbutanoic acid

C15H23N3O3 — CID 115430208

IUPAC2-[[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNc1cc(C)nc(C)c1C(N)=O)C(=O)O
InChIInChI=1S/C15H23N3O3/c1-5-15(6-2,14(20)21)8-17-11-7-9(3)18-10(4)12(11)13(16)19/h7H,5-6,8H2,1-4H3,(H2,16,19)(H,17,18)(H,20,21)
InChIKeyGLKJTJHXHLJLOP-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.10
Rot. Bonds7

About 2-[[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]methyl]-2-ethylbutanoic acid

2-[[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]methyl]-2-ethylbutanoic acid (PubChem CID 115430208) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]methyl]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]methyl]-2-ethylbutanoic acid
PubChem CID115430208
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNc1cc(C)nc(C)c1C(N)=O)C(=O)O
InChIInChI=1S/C15H23N3O3/c1-5-15(6-2,14(20)21)8-17-11-7-9(3)18-10(4)12(11)13(16)19/h7H,5-6,8H2,1-4H3,(H2,16,19)(H,17,18)(H,20,21)
InChIKeyGLKJTJHXHLJLOP-UHFFFAOYSA-N
XLogP2.10
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]methyl]-2-ethylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-amino-2-ethylbutyl)amino]-2,6-dimethylpyridine-3-carboxamide
CID 115306287
2,6-dimethyl-4-[2-(methylamino)ethylamino]pyridine-3-carboxamide
CID 81051566
3-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]-2-methylpropanoic acid
CID 81050962
4-[(1-aminocyclobutyl)methylamino]-2,6-dimethylpyridine-3-carboxamide
CID 103353986
4-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]-3-methylbutanoic acid
CID 81065938
2,6-dimethyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxylic acid
CID 81051889
4-(ethylamino)-2,6-dimethylpyridine-3-carboxylic acid
CID 81052197
4-[2-(4-aminophenyl)ethylamino]-2,6-dimethylpyridine-3-carboxamide
CID 81035906
4-(1-aminopentan-2-ylamino)-2,6-dimethylpyridine-3-carboxamide
CID 81051498
4-(ethylamino)-2,6-dimethylpyridine-3-carbothioamide
CID 81060050
2-ethyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]butanoic acid
CID 136972236
2,6-dimethyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-3-carboxamide
CID 107488661

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]methyl]-2-ethylbutanoic acid?
The IUPAC name of 2-[[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]methyl]-2-ethylbutanoic acid (CID 115430208) is 2-[[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]methyl]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]methyl]-2-ethylbutanoic acid?
The canonical SMILES for 2-[[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]methyl]-2-ethylbutanoic acid is CCC(CC)(CNc1cc(C)nc(C)c1C(N)=O)C(=O)O.
What is the InChIKey of 2-[[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]methyl]-2-ethylbutanoic acid?
The InChIKey is GLKJTJHXHLJLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-5-15(6-2,14(20)21)8-17-11-7-9(3)18-10(4)12(11)13(16)19/h7H,5-6,8H2,1-4H3,(H2,16,19)(H,17,18)(H,20,21).
What are the key properties of 2-[[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]methyl]-2-ethylbutanoic acid?
2-[[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]methyl]-2-ethylbutanoic acid has a molecular weight of 293.37 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]methyl]-2-ethylbutanoic acid is sourced from PubChem (CID 115430208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).