3-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]pentanoic acid

C14H20N2O3 — CID 81067028

IUPAC3-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)c1ccc(C)nc1C)CC(=O)O
InChIInChI=1S/C14H20N2O3/c1-4-11(7-13(17)18)8-15-14(19)12-6-5-9(2)16-10(12)3/h5-6,11H,4,7-8H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyTWZVLEFZEMWKOR-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.93
Rot. Bonds6

About 3-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]pentanoic acid

3-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]pentanoic acid (PubChem CID 81067028) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]pentanoic acid
PubChem CID81067028
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)c1ccc(C)nc1C)CC(=O)O
InChIInChI=1S/C14H20N2O3/c1-4-11(7-13(17)18)8-15-14(19)12-6-5-9(2)16-10(12)3/h5-6,11H,4,7-8H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyTWZVLEFZEMWKOR-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]butanoic acid
CID 65217615
3-[[(2-methylbenzoyl)amino]methyl]pentanoic acid
CID 81065631
3-[[(1,3-dimethylpyrazole-4-carbonyl)amino]methyl]pentanoic acid
CID 102801321
2,6-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102914586
N-(2-bromopropyl)-2,6-dimethylpyridine-3-carboxamide
CID 114308850
N-(2-aminopropyl)-2,6-dimethylpyridine-3-carboxamide
CID 63731041
N-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide
CID 65034246
N-(3-chloro-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide
CID 114302798
3-[[(2-chlorofuran-3-carbonyl)amino]methyl]pentanoic acid
CID 106683561
3-[[(4-methylbenzoyl)amino]methyl]pentanoic acid
CID 81065864
3-[[(2-iodobenzoyl)amino]methyl]pentanoic acid
CID 81065530
2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-carboxamide
CID 103726330

Frequently Asked Questions

What is the IUPAC name of 3-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]pentanoic acid?
The IUPAC name of 3-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]pentanoic acid (CID 81067028) is 3-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]pentanoic acid is CCC(CNC(=O)c1ccc(C)nc1C)CC(=O)O.
What is the InChIKey of 3-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]pentanoic acid?
The InChIKey is TWZVLEFZEMWKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-11(7-13(17)18)8-15-14(19)12-6-5-9(2)16-10(12)3/h5-6,11H,4,7-8H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 3-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]pentanoic acid?
3-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]pentanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 81067028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).