3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-5,5-dimethylhexanoic acid

C15H23N3O3 — CID 114765592

IUPAC3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-5,5-dimethylhexanoic acid
SMILESCc1cc(C(N)=O)cc(NC(CC(=O)O)CC(C)(C)C)n1
InChIInChI=1S/C15H23N3O3/c1-9-5-10(14(16)21)6-12(17-9)18-11(7-13(19)20)8-15(2,3)4/h5-6,11H,7-8H2,1-4H3,(H2,16,21)(H,17,18)(H,19,20)
InChIKeyWPRVYJWDXHJGIH-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.18
Rot. Bonds6

About 3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-5,5-dimethylhexanoic acid

3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-5,5-dimethylhexanoic acid (PubChem CID 114765592) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-5,5-dimethylhexanoic acid.

Molecular Properties

Compound Name3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-5,5-dimethylhexanoic acid
PubChem CID114765592
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-5,5-dimethylhexanoic acid
SMILESCc1cc(C(N)=O)cc(NC(CC(=O)O)CC(C)(C)C)n1
InChIInChI=1S/C15H23N3O3/c1-9-5-10(14(16)21)6-12(17-9)18-11(7-13(19)20)8-15(2,3)4/h5-6,11H,7-8H2,1-4H3,(H2,16,21)(H,17,18)(H,19,20)
InChIKeyWPRVYJWDXHJGIH-UHFFFAOYSA-N
XLogP2.18
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-5,5-dimethylhexanoic 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

3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]butanoic acid
CID 114765268
2-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-2-ethylbutanoic acid
CID 114765509
6-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-4-methylhexanoic acid
CID 114765426
2-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-5-methoxypentanoic acid
CID 114765528
5,5-dimethyl-3-[(6-methylsulfanylpyrimidin-4-yl)amino]hexanoic acid
CID 106972354
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-methylpyridine-4-carboxylic acid
CID 106278034
2-bromo-6-methylpyridine-4-carboxamide
CID 87482032
3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 114765433
2-[[2-(aminomethyl)cyclopentyl]amino]-6-methylpyridine-4-carboxamide
CID 114770110
3-(2-cyanoanilino)-5,5-dimethylhexanoic acid
CID 113496799
2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-4-carbothioamide
CID 114767990
3-(5-bromo-2-cyanoanilino)-5,5-dimethylhexanoic acid
CID 114901203

Frequently Asked Questions

What is the IUPAC name of 3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-5,5-dimethylhexanoic acid?
The IUPAC name of 3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-5,5-dimethylhexanoic acid (CID 114765592) is 3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-5,5-dimethylhexanoic acid.
What is the SMILES notation for 3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-5,5-dimethylhexanoic acid?
The canonical SMILES for 3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-5,5-dimethylhexanoic acid is Cc1cc(C(N)=O)cc(NC(CC(=O)O)CC(C)(C)C)n1.
What is the InChIKey of 3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-5,5-dimethylhexanoic acid?
The InChIKey is WPRVYJWDXHJGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-9-5-10(14(16)21)6-12(17-9)18-11(7-13(19)20)8-15(2,3)4/h5-6,11H,7-8H2,1-4H3,(H2,16,21)(H,17,18)(H,19,20).
What are the key properties of 3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-5,5-dimethylhexanoic acid?
3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-5,5-dimethylhexanoic acid has a molecular weight of 293.37 g/mol, XLogP of 2.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-5,5-dimethylhexanoic acid is sourced from PubChem (CID 114765592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).