5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]pyridine-2-carboxylic acid

C14H19N3O4 — CID 107393911

IUPAC5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]pyridine-2-carboxylic acid
SMILESCOC1(C)CCCN(C(=O)Nc2ccc(C(=O)O)nc2)C1
InChIInChI=1S/C14H19N3O4/c1-14(21-2)6-3-7-17(9-14)13(20)16-10-4-5-11(12(18)19)15-8-10/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyVBYQKUPJZGIZOL-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.81
Rot. Bonds3

About 5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]pyridine-2-carboxylic acid

5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]pyridine-2-carboxylic acid (PubChem CID 107393911) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]pyridine-2-carboxylic acid
PubChem CID107393911
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]pyridine-2-carboxylic acid
SMILESCOC1(C)CCCN(C(=O)Nc2ccc(C(=O)O)nc2)C1
InChIInChI=1S/C14H19N3O4/c1-14(21-2)6-3-7-17(9-14)13(20)16-10-4-5-11(12(18)19)15-8-10/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyVBYQKUPJZGIZOL-UHFFFAOYSA-N
XLogP1.81
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-3-methoxy-3-methylpiperidine-1-carboxamide
CID 107394432
5-[(7,7-dimethyl-1,4-thiazepane-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 107457256
(3-methoxy-3-methylpiperidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone
CID 107394944
3-methoxy-3-methylpiperidine-1-carbohydrazide
CID 107394148
1-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 107393937
5-acetamidopyridine-2-carboxylic acid
CID 5278292
(3,3-dimethylpiperidin-1-yl)-(5-hydrazinyl-2-pyridinyl)methanone
CID 104642815
3-methyl-1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 63137931
(3-methoxy-3-methylpiperidin-1-yl)-[6-(methylamino)-2-pyridinyl]methanone
CID 107394862
1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 107395046
1-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 107394038
3-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 107393973

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]pyridine-2-carboxylic acid (CID 107393911) is 5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]pyridine-2-carboxylic acid is COC1(C)CCCN(C(=O)Nc2ccc(C(=O)O)nc2)C1.
What is the InChIKey of 5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]pyridine-2-carboxylic acid?
The InChIKey is VBYQKUPJZGIZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-14(21-2)6-3-7-17(9-14)13(20)16-10-4-5-11(12(18)19)15-8-10/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]pyridine-2-carboxylic acid?
5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]pyridine-2-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 107393911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).