3-[(3-methoxypyridine-4-carbonyl)amino]-5,5-dimethylhexanoic acid

C15H22N2O4 — CID 105063310

IUPAC3-[(3-methoxypyridine-4-carbonyl)amino]-5,5-dimethylhexanoic acid
SMILESCOc1cnccc1C(=O)NC(CC(=O)O)CC(C)(C)C
InChIInChI=1S/C15H22N2O4/c1-15(2,3)8-10(7-13(18)19)17-14(20)11-5-6-16-9-12(11)21-4/h5-6,9-10H,7-8H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyKNLXBXUOWATHMV-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.10
Rot. Bonds6

About 3-[(3-methoxypyridine-4-carbonyl)amino]-5,5-dimethylhexanoic acid

3-[(3-methoxypyridine-4-carbonyl)amino]-5,5-dimethylhexanoic acid (PubChem CID 105063310) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[(3-methoxypyridine-4-carbonyl)amino]-5,5-dimethylhexanoic acid.

Molecular Properties

Compound Name3-[(3-methoxypyridine-4-carbonyl)amino]-5,5-dimethylhexanoic acid
PubChem CID105063310
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-[(3-methoxypyridine-4-carbonyl)amino]-5,5-dimethylhexanoic acid
SMILESCOc1cnccc1C(=O)NC(CC(=O)O)CC(C)(C)C
InChIInChI=1S/C15H22N2O4/c1-15(2,3)8-10(7-13(18)19)17-14(20)11-5-6-16-9-12(11)21-4/h5-6,9-10H,7-8H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyKNLXBXUOWATHMV-UHFFFAOYSA-N
XLogP2.10
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-methoxypyridine-4-carbonyl)amino]pentanoic acid
CID 105063292
(2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 105063303
4-amino-2-[(3-methoxypyridine-4-carbonyl)amino]-4-oxobutanoic acid
CID 105063070
N-(1-chloro-3-methoxypropan-2-yl)-3-methoxypyridine-4-carboxamide
CID 106182637
N-(1-bromo-4-methylpentan-2-yl)-3-methoxypyridine-4-carboxamide
CID 105064559
N-(1-chloropentan-3-yl)-3-methoxypyridine-4-carboxamide
CID 105064609
N-(1-chloropropan-2-yl)-3-methoxypyridine-4-carboxamide
CID 105064527
(2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 105063148
3-methoxy-N-(3-oxopentan-2-yl)pyridine-4-carboxamide
CID 105063550
(2S)-2-[(3-methoxypyridine-4-carbonyl)amino]-2-phenylacetic acid
CID 105063312
N-(2-hydroxy-2,4-dimethylpentyl)-3-methoxypyridine-4-carboxamide
CID 105063908
N-(2-amino-1-phenylethyl)-3-methoxypyridine-4-carboxamide
CID 105064640

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxypyridine-4-carbonyl)amino]-5,5-dimethylhexanoic acid?
The IUPAC name of 3-[(3-methoxypyridine-4-carbonyl)amino]-5,5-dimethylhexanoic acid (CID 105063310) is 3-[(3-methoxypyridine-4-carbonyl)amino]-5,5-dimethylhexanoic acid.
What is the SMILES notation for 3-[(3-methoxypyridine-4-carbonyl)amino]-5,5-dimethylhexanoic acid?
The canonical SMILES for 3-[(3-methoxypyridine-4-carbonyl)amino]-5,5-dimethylhexanoic acid is COc1cnccc1C(=O)NC(CC(=O)O)CC(C)(C)C.
What is the InChIKey of 3-[(3-methoxypyridine-4-carbonyl)amino]-5,5-dimethylhexanoic acid?
The InChIKey is KNLXBXUOWATHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(2,3)8-10(7-13(18)19)17-14(20)11-5-6-16-9-12(11)21-4/h5-6,9-10H,7-8H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of 3-[(3-methoxypyridine-4-carbonyl)amino]-5,5-dimethylhexanoic acid?
3-[(3-methoxypyridine-4-carbonyl)amino]-5,5-dimethylhexanoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxypyridine-4-carbonyl)amino]-5,5-dimethylhexanoic acid is sourced from PubChem (CID 105063310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).