6-methyl-4-(oxan-4-ylmethylamino)pyridine-3-carboxylic acid

C13H18N2O3 — CID 81243824

IUPAC6-methyl-4-(oxan-4-ylmethylamino)pyridine-3-carboxylic acid
SMILESCc1cc(NCC2CCOCC2)c(C(=O)O)cn1
InChIInChI=1S/C13H18N2O3/c1-9-6-12(11(8-14-9)13(16)17)15-7-10-2-4-18-5-3-10/h6,8,10H,2-5,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyFGWQYTFYOPAHPU-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.93
Rot. Bonds4

About 6-methyl-4-(oxan-4-ylmethylamino)pyridine-3-carboxylic acid

6-methyl-4-(oxan-4-ylmethylamino)pyridine-3-carboxylic acid (PubChem CID 81243824) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-methyl-4-(oxan-4-ylmethylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-(oxan-4-ylmethylamino)pyridine-3-carboxylic acid
PubChem CID81243824
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name6-methyl-4-(oxan-4-ylmethylamino)pyridine-3-carboxylic acid
SMILESCc1cc(NCC2CCOCC2)c(C(=O)O)cn1
InChIInChI=1S/C13H18N2O3/c1-9-6-12(11(8-14-9)13(16)17)15-7-10-2-4-18-5-3-10/h6,8,10H,2-5,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyFGWQYTFYOPAHPU-UHFFFAOYSA-N
XLogP1.93
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-4-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid
CID 114125756
4-(2,2-dicyclopropylethylamino)-6-methylpyridine-3-carboxylic acid
CID 81244397
4-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-3-carboxylic acid
CID 104762255
6-methyl-4-(prop-2-ynylamino)pyridine-3-carboxylic acid
CID 81232269
4-methyl-2-(oxan-4-ylmethoxy)pyrimidine-5-carboxylic acid
CID 83181937
6-methyl-4-[(2-methyloxolan-2-yl)methylamino]pyridine-3-carboxylic acid
CID 81243694
4-(2,3-dimethylbutylamino)-6-methylpyridine-3-carboxylic acid
CID 81244589
6-methyl-4-(oxan-4-ylsulfanyl)pyridine-3-carboxylic acid
CID 81237821
4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-methylpyridine-3-carboxylic acid
CID 81233393
4-(1-cyclopropylethylamino)-6-methylpyridine-3-carboxylic acid
CID 81233057
6-methyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid
CID 102906554
4-(tert-butylamino)-6-methylpyridine-3-carboxylic acid
CID 81232359

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(oxan-4-ylmethylamino)pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-(oxan-4-ylmethylamino)pyridine-3-carboxylic acid (CID 81243824) is 6-methyl-4-(oxan-4-ylmethylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-(oxan-4-ylmethylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-(oxan-4-ylmethylamino)pyridine-3-carboxylic acid is Cc1cc(NCC2CCOCC2)c(C(=O)O)cn1.
What is the InChIKey of 6-methyl-4-(oxan-4-ylmethylamino)pyridine-3-carboxylic acid?
The InChIKey is FGWQYTFYOPAHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-6-12(11(8-14-9)13(16)17)15-7-10-2-4-18-5-3-10/h6,8,10H,2-5,7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 6-methyl-4-(oxan-4-ylmethylamino)pyridine-3-carboxylic acid?
6-methyl-4-(oxan-4-ylmethylamino)pyridine-3-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(oxan-4-ylmethylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 81243824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).