5-[(2,6-dimethylpyridine-3-carbonyl)amino]hexanoic acid

C14H20N2O3 — CID 82855283

IUPAC5-[(2,6-dimethylpyridine-3-carbonyl)amino]hexanoic acid
SMILESCc1ccc(C(=O)NC(C)CCCC(=O)O)c(C)n1
InChIInChI=1S/C14H20N2O3/c1-9(5-4-6-13(17)18)16-14(19)12-8-7-10(2)15-11(12)3/h7-9H,4-6H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyZCJYTOKFGYPERA-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.07
Rot. Bonds6

About 5-[(2,6-dimethylpyridine-3-carbonyl)amino]hexanoic acid

5-[(2,6-dimethylpyridine-3-carbonyl)amino]hexanoic acid (PubChem CID 82855283) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-[(2,6-dimethylpyridine-3-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name5-[(2,6-dimethylpyridine-3-carbonyl)amino]hexanoic acid
PubChem CID82855283
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name5-[(2,6-dimethylpyridine-3-carbonyl)amino]hexanoic acid
SMILESCc1ccc(C(=O)NC(C)CCCC(=O)O)c(C)n1
InChIInChI=1S/C14H20N2O3/c1-9(5-4-6-13(17)18)16-14(19)12-8-7-10(2)15-11(12)3/h7-9H,4-6H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyZCJYTOKFGYPERA-UHFFFAOYSA-N
XLogP2.07
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]pentanedioic acid
CID 62828511
N-[(2R)-1-aminopropan-2-yl]-2,6-dimethylpyridine-3-carboxamide
CID 104873122
N-(4-hydroxypentan-2-yl)-2,6-dimethylpyridine-3-carboxamide
CID 113376501
5-[(6-methylpyridine-3-carbonyl)amino]hexanoic acid
CID 82855069
4-[(2-methoxy-6-methylpyridine-3-carbonyl)amino]pentanoic acid
CID 120534735
5-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid
CID 106752753
(2S)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 62828512
N-(1-amino-4-methylpentan-3-yl)-2,6-dimethylpyridine-3-carboxamide
CID 114178127
5-[(2,3-dichlorobenzoyl)amino]hexanoic acid
CID 82854179
5-[(2-fluorobenzoyl)amino]hexanoic acid
CID 82855274
N-(1-cyanoethyl)-2,6-dimethylpyridine-3-carboxamide
CID 55209186
4-[(2,4-dimethylpyrimidine-5-carbonyl)amino]pentanoic acid
CID 120534940

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylpyridine-3-carbonyl)amino]hexanoic acid?
The IUPAC name of 5-[(2,6-dimethylpyridine-3-carbonyl)amino]hexanoic acid (CID 82855283) is 5-[(2,6-dimethylpyridine-3-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 5-[(2,6-dimethylpyridine-3-carbonyl)amino]hexanoic acid?
The canonical SMILES for 5-[(2,6-dimethylpyridine-3-carbonyl)amino]hexanoic acid is Cc1ccc(C(=O)NC(C)CCCC(=O)O)c(C)n1.
What is the InChIKey of 5-[(2,6-dimethylpyridine-3-carbonyl)amino]hexanoic acid?
The InChIKey is ZCJYTOKFGYPERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(5-4-6-13(17)18)16-14(19)12-8-7-10(2)15-11(12)3/h7-9H,4-6H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 5-[(2,6-dimethylpyridine-3-carbonyl)amino]hexanoic acid?
5-[(2,6-dimethylpyridine-3-carbonyl)amino]hexanoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethylpyridine-3-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 82855283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).