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

C13H19N3O3 — CID 114765509

IUPAC2-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-2-ethylbutanoic acid
SMILESCCC(CC)(Nc1cc(C(N)=O)cc(C)n1)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-4-13(5-2,12(18)19)16-10-7-9(11(14)17)6-8(3)15-10/h6-7H,4-5H2,1-3H3,(H2,14,17)(H,15,16)(H,18,19)
InChIKeyFLPZQRZZKHAISN-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.54
Rot. Bonds6

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

2-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-2-ethylbutanoic acid (PubChem CID 114765509) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-2-ethylbutanoic acid
PubChem CID114765509
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-2-ethylbutanoic acid
SMILESCCC(CC)(Nc1cc(C(N)=O)cc(C)n1)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-4-13(5-2,12(18)19)16-10-7-9(11(14)17)6-8(3)15-10/h6-7H,4-5H2,1-3H3,(H2,14,17)(H,15,16)(H,18,19)
InChIKeyFLPZQRZZKHAISN-UHFFFAOYSA-N
XLogP1.54
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-2-ethylbutanoic acid?
The IUPAC name of 2-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-2-ethylbutanoic acid (CID 114765509) is 2-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-2-ethylbutanoic acid?
The canonical SMILES for 2-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-2-ethylbutanoic acid is CCC(CC)(Nc1cc(C(N)=O)cc(C)n1)C(=O)O.
What is the InChIKey of 2-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-2-ethylbutanoic acid?
The InChIKey is FLPZQRZZKHAISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-13(5-2,12(18)19)16-10-7-9(11(14)17)6-8(3)15-10/h6-7H,4-5H2,1-3H3,(H2,14,17)(H,15,16)(H,18,19).
What are the key properties of 2-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-2-ethylbutanoic acid?
2-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-2-ethylbutanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-2-ethylbutanoic acid is sourced from PubChem (CID 114765509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).