6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid

C12H16N2O3 — CID 43611328

IUPAC6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid
SMILESCN(c1ccc(C(=O)O)cn1)C1CCOCC1
InChIInChI=1S/C12H16N2O3/c1-14(10-4-6-17-7-5-10)11-3-2-9(8-13-11)12(15)16/h2-3,8,10H,4-7H2,1H3,(H,15,16)
InChIKeyKNQGLYGNTYYCMV-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.39
Rot. Bonds3

About 6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid

6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid (PubChem CID 43611328) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid
PubChem CID43611328
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid
SMILESCN(c1ccc(C(=O)O)cn1)C1CCOCC1
InChIInChI=1S/C12H16N2O3/c1-14(10-4-6-17-7-5-10)11-3-2-9(8-13-11)12(15)16/h2-3,8,10H,4-7H2,1H3,(H,15,16)
InChIKeyKNQGLYGNTYYCMV-UHFFFAOYSA-N
XLogP1.39
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]ethanone;ethane
CID 170568901
(E)-4-[6-[methyl(oxan-4-yl)amino]-3-pyridinyl]-2-oxobut-3-enoic acid
CID 126742876
5-methyl-6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid
CID 80632758
5-amino-6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid
CID 81439658
6-[methyl(oxolan-3-yl)amino]pyridine-3-carbothioamide
CID 82738725
N'-hydroxy-6-[methyl(oxolan-3-yl)amino]pyridine-3-carboximidamide
CID 82739589
6-[2-carboxyethyl(oxan-4-yl)carbamoyl]pyridine-3-carboxylic acid
CID 154842023
6-(N-methylanilino)pyridine-3-carboxylic acid
CID 16778360
4-[[methyl(oxan-4-yl)amino]methyl]benzoic acid
CID 43611411
N-methyl-N-(oxan-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 71113316
2-[cyclopropyl(methyl)amino]pyrimidine-5-carboxylic acid
CID 83830301
6-[cyclopropyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 43265005

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid (CID 43611328) is 6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid is CN(c1ccc(C(=O)O)cn1)C1CCOCC1.
What is the InChIKey of 6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is KNQGLYGNTYYCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-14(10-4-6-17-7-5-10)11-3-2-9(8-13-11)12(15)16/h2-3,8,10H,4-7H2,1H3,(H,15,16).
What are the key properties of 6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid?
6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(oxan-4-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 43611328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).