5-[(3-carbamoyl-4-methyl-2-pyridinyl)amino]-2-methylpentanoic acid

C13H19N3O3 — CID 104683248

IUPAC5-[(3-carbamoyl-4-methyl-2-pyridinyl)amino]-2-methylpentanoic acid
SMILESCc1ccnc(NCCCC(C)C(=O)O)c1C(N)=O
InChIInChI=1S/C13H19N3O3/c1-8-5-7-16-12(10(8)11(14)17)15-6-3-4-9(2)13(18)19/h5,7,9H,3-4,6H2,1-2H3,(H2,14,17)(H,15,16)(H,18,19)
InChIKeyUOHPLMXMAJIPOZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.40
Rot. Bonds7

About 5-[(3-carbamoyl-4-methyl-2-pyridinyl)amino]-2-methylpentanoic acid

5-[(3-carbamoyl-4-methyl-2-pyridinyl)amino]-2-methylpentanoic acid (PubChem CID 104683248) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-[(3-carbamoyl-4-methyl-2-pyridinyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name5-[(3-carbamoyl-4-methyl-2-pyridinyl)amino]-2-methylpentanoic acid
PubChem CID104683248
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-[(3-carbamoyl-4-methyl-2-pyridinyl)amino]-2-methylpentanoic acid
SMILESCc1ccnc(NCCCC(C)C(=O)O)c1C(N)=O
InChIInChI=1S/C13H19N3O3/c1-8-5-7-16-12(10(8)11(14)17)15-6-3-4-9(2)13(18)19/h5,7,9H,3-4,6H2,1-2H3,(H2,14,17)(H,15,16)(H,18,19)
InChIKeyUOHPLMXMAJIPOZ-UHFFFAOYSA-N
XLogP1.40
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-[(4-methyl-3-nitro-2-pyridinyl)amino]pentanoic acid
CID 113440749
4-methyl-2-(5-methylhexylamino)pyridine-3-carboxylic acid
CID 115327372
4-methyl-2-(3-pyrazol-1-ylpropylamino)pyridine-3-carboxamide
CID 167948266
5-(2-carbamoyl-3-fluoroanilino)-2-methylpentanoic acid
CID 104683255
5-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-2-methylpentanoic acid
CID 104683131
4-methyl-2-(3-propoxypropylamino)pyridine-3-carboxylic acid
CID 82947512
4-methyl-2-(5,5,5-trifluoropentylamino)pyridine-3-carbothioamide
CID 115519906
2-[(3-hydroxy-4-methoxybutyl)amino]-4-methylpyridine-3-carboxylic acid
CID 114163853
2-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid
CID 104683281
5-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 106154628
2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carboxylic acid
CID 114112447
2-methyl-5-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 104683082

Frequently Asked Questions

What is the IUPAC name of 5-[(3-carbamoyl-4-methyl-2-pyridinyl)amino]-2-methylpentanoic acid?
The IUPAC name of 5-[(3-carbamoyl-4-methyl-2-pyridinyl)amino]-2-methylpentanoic acid (CID 104683248) is 5-[(3-carbamoyl-4-methyl-2-pyridinyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 5-[(3-carbamoyl-4-methyl-2-pyridinyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 5-[(3-carbamoyl-4-methyl-2-pyridinyl)amino]-2-methylpentanoic acid is Cc1ccnc(NCCCC(C)C(=O)O)c1C(N)=O.
What is the InChIKey of 5-[(3-carbamoyl-4-methyl-2-pyridinyl)amino]-2-methylpentanoic acid?
The InChIKey is UOHPLMXMAJIPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-5-7-16-12(10(8)11(14)17)15-6-3-4-9(2)13(18)19/h5,7,9H,3-4,6H2,1-2H3,(H2,14,17)(H,15,16)(H,18,19).
What are the key properties of 5-[(3-carbamoyl-4-methyl-2-pyridinyl)amino]-2-methylpentanoic acid?
5-[(3-carbamoyl-4-methyl-2-pyridinyl)amino]-2-methylpentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-carbamoyl-4-methyl-2-pyridinyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 104683248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).