(3R)-3-[(2,6-dimethylpyridine-4-carbonyl)amino]heptanoic acid

C15H22N2O3 — CID 126425811

IUPAC(3R)-3-[(2,6-dimethylpyridine-4-carbonyl)amino]heptanoic acid
SMILESCCCC[C@H](CC(=O)O)NC(=O)c1cc(C)nc(C)c1
InChIInChI=1S/C15H22N2O3/c1-4-5-6-13(9-14(18)19)17-15(20)12-7-10(2)16-11(3)8-12/h7-8,13H,4-6,9H2,1-3H3,(H,17,20)(H,18,19)/t13-/m1/s1
InChIKeyJAMOJCWXFOKEBR-CYBMUJFWSA-N
MW278.35 g/mol
LogP2.46
Rot. Bonds7

About (3R)-3-[(2,6-dimethylpyridine-4-carbonyl)amino]heptanoic acid

(3R)-3-[(2,6-dimethylpyridine-4-carbonyl)amino]heptanoic acid (PubChem CID 126425811) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (3R)-3-[(2,6-dimethylpyridine-4-carbonyl)amino]heptanoic acid.

Molecular Properties

Compound Name(3R)-3-[(2,6-dimethylpyridine-4-carbonyl)amino]heptanoic acid
PubChem CID126425811
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(3R)-3-[(2,6-dimethylpyridine-4-carbonyl)amino]heptanoic acid
SMILESCCCC[C@H](CC(=O)O)NC(=O)c1cc(C)nc(C)c1
InChIInChI=1S/C15H22N2O3/c1-4-5-6-13(9-14(18)19)17-15(20)12-7-10(2)16-11(3)8-12/h7-8,13H,4-6,9H2,1-3H3,(H,17,20)(H,18,19)/t13-/m1/s1
InChIKeyJAMOJCWXFOKEBR-CYBMUJFWSA-N
XLogP2.46
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2,6-dimethylpyridine-4-carbonyl)amino]heptanoic acid?
The IUPAC name of (3R)-3-[(2,6-dimethylpyridine-4-carbonyl)amino]heptanoic acid (CID 126425811) is (3R)-3-[(2,6-dimethylpyridine-4-carbonyl)amino]heptanoic acid.
What is the SMILES notation for (3R)-3-[(2,6-dimethylpyridine-4-carbonyl)amino]heptanoic acid?
The canonical SMILES for (3R)-3-[(2,6-dimethylpyridine-4-carbonyl)amino]heptanoic acid is CCCC[C@H](CC(=O)O)NC(=O)c1cc(C)nc(C)c1.
What is the InChIKey of (3R)-3-[(2,6-dimethylpyridine-4-carbonyl)amino]heptanoic acid?
The InChIKey is JAMOJCWXFOKEBR-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-5-6-13(9-14(18)19)17-15(20)12-7-10(2)16-11(3)8-12/h7-8,13H,4-6,9H2,1-3H3,(H,17,20)(H,18,19)/t13-/m1/s1.
What are the key properties of (3R)-3-[(2,6-dimethylpyridine-4-carbonyl)amino]heptanoic acid?
(3R)-3-[(2,6-dimethylpyridine-4-carbonyl)amino]heptanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2,6-dimethylpyridine-4-carbonyl)amino]heptanoic acid is sourced from PubChem (CID 126425811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).