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

C14H21N3O3 — CID 65289477

IUPAC6-[(2-carbamoyl-4-pyridinyl)amino]-2-methylheptanoic acid
SMILESCC(CCCC(C)C(=O)O)Nc1ccnc(C(N)=O)c1
InChIInChI=1S/C14H21N3O3/c1-9(14(19)20)4-3-5-10(2)17-11-6-7-16-12(8-11)13(15)18/h6-10H,3-5H2,1-2H3,(H2,15,18)(H,16,17)(H,19,20)
InChIKeyIKYHDULGUDMGLD-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.87
Rot. Bonds8

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

6-[(2-carbamoyl-4-pyridinyl)amino]-2-methylheptanoic acid (PubChem CID 65289477) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-[(2-carbamoyl-4-pyridinyl)amino]-2-methylheptanoic acid.

Molecular Properties

Compound Name6-[(2-carbamoyl-4-pyridinyl)amino]-2-methylheptanoic acid
PubChem CID65289477
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name6-[(2-carbamoyl-4-pyridinyl)amino]-2-methylheptanoic acid
SMILESCC(CCCC(C)C(=O)O)Nc1ccnc(C(N)=O)c1
InChIInChI=1S/C14H21N3O3/c1-9(14(19)20)4-3-5-10(2)17-11-6-7-16-12(8-11)13(15)18/h6-10H,3-5H2,1-2H3,(H2,15,18)(H,16,17)(H,19,20)
InChIKeyIKYHDULGUDMGLD-UHFFFAOYSA-N
XLogP1.87
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[(2-carbamoyl-4-pyridinyl)amino]-2-methylheptanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(2-carbamoyl-4-pyridinyl)amino]-2-methylheptanoic acid?
The IUPAC name of 6-[(2-carbamoyl-4-pyridinyl)amino]-2-methylheptanoic acid (CID 65289477) is 6-[(2-carbamoyl-4-pyridinyl)amino]-2-methylheptanoic acid.
What is the SMILES notation for 6-[(2-carbamoyl-4-pyridinyl)amino]-2-methylheptanoic acid?
The canonical SMILES for 6-[(2-carbamoyl-4-pyridinyl)amino]-2-methylheptanoic acid is CC(CCCC(C)C(=O)O)Nc1ccnc(C(N)=O)c1.
What is the InChIKey of 6-[(2-carbamoyl-4-pyridinyl)amino]-2-methylheptanoic acid?
The InChIKey is IKYHDULGUDMGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9(14(19)20)4-3-5-10(2)17-11-6-7-16-12(8-11)13(15)18/h6-10H,3-5H2,1-2H3,(H2,15,18)(H,16,17)(H,19,20).
What are the key properties of 6-[(2-carbamoyl-4-pyridinyl)amino]-2-methylheptanoic acid?
6-[(2-carbamoyl-4-pyridinyl)amino]-2-methylheptanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.87, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-carbamoyl-4-pyridinyl)amino]-2-methylheptanoic acid is sourced from PubChem (CID 65289477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).