6-[[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]methyl]pyridine-2-carboxylic acid

C13H19N3O3 — CID 106278506

IUPAC6-[[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]methyl]pyridine-2-carboxylic acid
SMILESCNC(=O)C(C)(C)CNCc1cccc(C(=O)O)n1
InChIInChI=1S/C13H19N3O3/c1-13(2,12(19)14-3)8-15-7-9-5-4-6-10(16-9)11(17)18/h4-6,15H,7-8H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyVFARYOLVMOSMGB-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.64
Rot. Bonds6

About 6-[[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]methyl]pyridine-2-carboxylic acid

6-[[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]methyl]pyridine-2-carboxylic acid (PubChem CID 106278506) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 6-[[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]methyl]pyridine-2-carboxylic acid
PubChem CID106278506
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name6-[[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]methyl]pyridine-2-carboxylic acid
SMILESCNC(=O)C(C)(C)CNCc1cccc(C(=O)O)n1
InChIInChI=1S/C13H19N3O3/c1-13(2,12(19)14-3)8-15-7-9-5-4-6-10(16-9)11(17)18/h4-6,15H,7-8H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyVFARYOLVMOSMGB-UHFFFAOYSA-N
XLogP0.64
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]pyridine-2-carboxylic acid
CID 106904961
6-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]pyridine-2-carboxylic acid
CID 114150255
6-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]pyridine-2-carboxylic acid
CID 114163806
6-[(methylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 84676608
ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid
CID 166148097
6-[(2,2,3,3-tetrafluoropropylamino)methyl]pyridine-2-carboxylic acid
CID 114169680
6-[(but-2-ynylamino)methyl]pyridine-2-carboxylic acid
CID 106904962
6-[(3-methylbut-2-enylamino)methyl]pyridine-2-carboxylic acid
CID 106190462
6-[(2-ethylbutylamino)methyl]pyridine-2-carboxylic acid
CID 106904993
N,2,2-trimethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide
CID 115748996
6-[(3-hydroxybutylamino)methyl]pyridine-2-carboxylic acid
CID 106904745
6-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904472

Frequently Asked Questions

What is the IUPAC name of 6-[[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]methyl]pyridine-2-carboxylic acid (CID 106278506) is 6-[[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]methyl]pyridine-2-carboxylic acid is CNC(=O)C(C)(C)CNCc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is VFARYOLVMOSMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-13(2,12(19)14-3)8-15-7-9-5-4-6-10(16-9)11(17)18/h4-6,15H,7-8H2,1-3H3,(H,14,19)(H,17,18).
What are the key properties of 6-[[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]methyl]pyridine-2-carboxylic acid?
6-[[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 0.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106278506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).