6-[(2,2-dimethyloxan-4-yl)methylamino]pyridine-2-carboxylic acid

C14H20N2O3 — CID 122058138

IUPAC6-[(2,2-dimethyloxan-4-yl)methylamino]pyridine-2-carboxylic acid
SMILESCC1(C)CC(CNc2cccc(C(=O)O)n2)CCO1
InChIInChI=1S/C14H20N2O3/c1-14(2)8-10(6-7-19-14)9-15-12-5-3-4-11(16-12)13(17)18/h3-5,10H,6-9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeySOYIVMQQSMKFKW-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.40
Rot. Bonds4

About 6-[(2,2-dimethyloxan-4-yl)methylamino]pyridine-2-carboxylic acid

6-[(2,2-dimethyloxan-4-yl)methylamino]pyridine-2-carboxylic acid (PubChem CID 122058138) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 6-[(2,2-dimethyloxan-4-yl)methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2,2-dimethyloxan-4-yl)methylamino]pyridine-2-carboxylic acid
PubChem CID122058138
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name6-[(2,2-dimethyloxan-4-yl)methylamino]pyridine-2-carboxylic acid
SMILESCC1(C)CC(CNc2cccc(C(=O)O)n2)CCO1
InChIInChI=1S/C14H20N2O3/c1-14(2)8-10(6-7-19-14)9-15-12-5-3-4-11(16-12)13(17)18/h3-5,10H,6-9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeySOYIVMQQSMKFKW-UHFFFAOYSA-N
XLogP2.40
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Acetamidopicolinic acid
CID 824640
5,6,7,8-Tetrahydro-1,8-naphthyridine-2-carboxylic acid
CID 51358533
6-(Prop-2-enamido)pyridine-2-carboxylic acid
CID 63642220
6-(Morpholin-4-yl)pyridine-2-carboxylic acid
CID 2388921
US10513493, Example 24
CID 118301996
US10513493, Example 26
CID 118302022
6-(((Tert-butoxy)carbonyl)amino)pyridine-2-carboxylic acid
CID 22726931
6-(Dimethylamino)picolinic acid
CID 53408411
6-(4-Methylpiperazin-1-yl)pyridine-2-carboxylicacidhydrochloride
CID 57444906
6-(Methylamino)pyridine-2-carboxylic acid
CID 62253567
7-Oxo-7,8-dihydro-1,8-naphthyridine-2-carboxylic acid
CID 67907967
6-[(3S,4R)-3-cyclopropyl-4-(oxane-4-carbonylamino)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 86282891

Frequently Asked Questions

What is the IUPAC name of 6-[(2,2-dimethyloxan-4-yl)methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2,2-dimethyloxan-4-yl)methylamino]pyridine-2-carboxylic acid (CID 122058138) is 6-[(2,2-dimethyloxan-4-yl)methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2,2-dimethyloxan-4-yl)methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2,2-dimethyloxan-4-yl)methylamino]pyridine-2-carboxylic acid is CC1(C)CC(CNc2cccc(C(=O)O)n2)CCO1.
What is the InChIKey of 6-[(2,2-dimethyloxan-4-yl)methylamino]pyridine-2-carboxylic acid?
The InChIKey is SOYIVMQQSMKFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2)8-10(6-7-19-14)9-15-12-5-3-4-11(16-12)13(17)18/h3-5,10H,6-9H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 6-[(2,2-dimethyloxan-4-yl)methylamino]pyridine-2-carboxylic acid?
6-[(2,2-dimethyloxan-4-yl)methylamino]pyridine-2-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2-dimethyloxan-4-yl)methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122058138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).