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

C12H17N3O3 — CID 64589746

IUPAC4-[(6-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)Nc1cccc(C(N)=O)n1
InChIInChI=1S/C12H17N3O3/c1-12(2,7-6-10(16)17)15-9-5-3-4-8(14-9)11(13)18/h3-5H,6-7H2,1-2H3,(H2,13,18)(H,14,15)(H,16,17)
InChIKeyAUIFEKXUBSMVOI-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.24
Rot. Bonds6

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

4-[(6-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid (PubChem CID 64589746) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-[(6-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(6-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid
PubChem CID64589746
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name4-[(6-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)Nc1cccc(C(N)=O)n1
InChIInChI=1S/C12H17N3O3/c1-12(2,7-6-10(16)17)15-9-5-3-4-8(14-9)11(13)18/h3-5H,6-7H2,1-2H3,(H2,13,18)(H,14,15)(H,16,17)
InChIKeyAUIFEKXUBSMVOI-UHFFFAOYSA-N
XLogP1.24
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid?
The IUPAC name of 4-[(6-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid (CID 64589746) is 4-[(6-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(6-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(6-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid is CC(C)(CCC(=O)O)Nc1cccc(C(N)=O)n1.
What is the InChIKey of 4-[(6-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid?
The InChIKey is AUIFEKXUBSMVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-12(2,7-6-10(16)17)15-9-5-3-4-8(14-9)11(13)18/h3-5H,6-7H2,1-2H3,(H2,13,18)(H,14,15)(H,16,17).
What are the key properties of 4-[(6-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid?
4-[(6-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid has a molecular weight of 251.29 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 64589746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).