6-methyl-4-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid

C11H15N3O3 — CID 81243971

IUPAC6-methyl-4-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid
SMILESCNC(=O)CCNc1cc(C)ncc1C(=O)O
InChIInChI=1S/C11H15N3O3/c1-7-5-9(8(6-14-7)11(16)17)13-4-3-10(15)12-2/h5-6H,3-4H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)
InChIKeyFMYUBKILPDIPQD-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.64
Rot. Bonds5

About 6-methyl-4-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid

6-methyl-4-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid (PubChem CID 81243971) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-methyl-4-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid
PubChem CID81243971
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name6-methyl-4-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid
SMILESCNC(=O)CCNc1cc(C)ncc1C(=O)O
InChIInChI=1S/C11H15N3O3/c1-7-5-9(8(6-14-7)11(16)17)13-4-3-10(15)12-2/h5-6H,3-4H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)
InChIKeyFMYUBKILPDIPQD-UHFFFAOYSA-N
XLogP0.64
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-methyl-4-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(but-3-ynylamino)-6-methylpyridine-3-carboxylic acid
CID 81244685
6-methyl-4-(prop-2-ynylamino)pyridine-3-carboxylic acid
CID 81232269
4-(2,3-dimethylbutylamino)-6-methylpyridine-3-carboxylic acid
CID 81244589
4-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyridine-3-carboxylic acid
CID 114009317
4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-methylpyridine-3-carboxylic acid
CID 81233393
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
4-(2,2-dicyclopropylethylamino)-6-methylpyridine-3-carboxylic acid
CID 81244397
6-methyl-4-(2-pyridin-2-ylethylamino)pyridine-3-carboxylic acid
CID 81233304
6-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxylic acid
CID 81244294
6-methyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxylic acid
CID 81244674
4-hydrazinyl-6-methylpyridine-3-carboxylic acid
CID 82863432

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid (CID 81243971) is 6-methyl-4-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid is CNC(=O)CCNc1cc(C)ncc1C(=O)O.
What is the InChIKey of 6-methyl-4-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid?
The InChIKey is FMYUBKILPDIPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7-5-9(8(6-14-7)11(16)17)13-4-3-10(15)12-2/h5-6H,3-4H2,1-2H3,(H,12,15)(H,13,14)(H,16,17).
What are the key properties of 6-methyl-4-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid?
6-methyl-4-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81243971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).