6-methyl-4-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid

C14H20N2O3 — CID 81233414

IUPAC6-methyl-4-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid
SMILESCc1cc(N(C)CC2CCCCO2)c(C(=O)O)cn1
InChIInChI=1S/C14H20N2O3/c1-10-7-13(12(8-15-10)14(17)18)16(2)9-11-5-3-4-6-19-11/h7-8,11H,3-6,9H2,1-2H3,(H,17,18)
InChIKeyOOYSBTNCUNHOIU-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.09
Rot. Bonds4

About 6-methyl-4-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid

6-methyl-4-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid (PubChem CID 81233414) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 6-methyl-4-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid
PubChem CID81233414
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name6-methyl-4-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid
SMILESCc1cc(N(C)CC2CCCCO2)c(C(=O)O)cn1
InChIInChI=1S/C14H20N2O3/c1-10-7-13(12(8-15-10)14(17)18)16(2)9-11-5-3-4-6-19-11/h7-8,11H,3-6,9H2,1-2H3,(H,17,18)
InChIKeyOOYSBTNCUNHOIU-UHFFFAOYSA-N
XLogP2.09
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-[methyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 67287490
6-chloro-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 63380171
5-amino-3-chloro-2-[methyl(oxan-2-ylmethyl)amino]benzoic acid
CID 107194637
3-fluoro-2-[methyl(oxan-2-ylmethyl)amino]benzoic acid
CID 62648696
2-[methyl(oxolan-2-ylmethyl)amino]-5-(trifluoromethyl)benzoic acid
CID 62702531
N,2-dimethyl-5-[(2-methylpropylamino)methyl]-N-(oxolan-2-ylmethyl)pyridin-4-amine
CID 81249404
4-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81244159
2-fluoro-6-[methyl(oxan-2-ylmethyl)amino]benzoic acid
CID 79522764
4-methyl-2-[methyl(oxan-2-ylmethyl)amino]benzenecarbothioamide
CID 62303105
4-chloro-N-ethyl-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81226969
6-methyl-4-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 81233162
6-methyl-4-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboxylic acid
CID 81233138

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid (CID 81233414) is 6-methyl-4-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid is Cc1cc(N(C)CC2CCCCO2)c(C(=O)O)cn1.
What is the InChIKey of 6-methyl-4-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid?
The InChIKey is OOYSBTNCUNHOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-7-13(12(8-15-10)14(17)18)16(2)9-11-5-3-4-6-19-11/h7-8,11H,3-6,9H2,1-2H3,(H,17,18).
What are the key properties of 6-methyl-4-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid?
6-methyl-4-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81233414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).