4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-methylpyridine-3-carboxylic acid

C11H15N3O3 — CID 81233393

IUPAC4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(NCC(=O)N(C)C)c(C(=O)O)cn1
InChIInChI=1S/C11H15N3O3/c1-7-4-9(8(5-12-7)11(16)17)13-6-10(15)14(2)3/h4-5H,6H2,1-3H3,(H,12,13)(H,16,17)
InChIKeyOZFPRYSCGXNDJZ-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.59
Rot. Bonds4

About 4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-methylpyridine-3-carboxylic acid

4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-methylpyridine-3-carboxylic acid (PubChem CID 81233393) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-methylpyridine-3-carboxylic acid
PubChem CID81233393
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(NCC(=O)N(C)C)c(C(=O)O)cn1
InChIInChI=1S/C11H15N3O3/c1-7-4-9(8(5-12-7)11(16)17)13-6-10(15)14(2)3/h4-5H,6H2,1-3H3,(H,12,13)(H,16,17)
InChIKeyOZFPRYSCGXNDJZ-UHFFFAOYSA-N
XLogP0.59
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-4-(prop-2-ynylamino)pyridine-3-carboxylic acid
CID 81232269
4-[[1-(dimethylamino)cyclopentyl]methylamino]-6-methylpyridine-3-carboxylic acid
CID 83121725
4-(2,3-dimethylbutylamino)-6-methylpyridine-3-carboxylic acid
CID 81244589
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-ethoxy-2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid
CID 114942705
4-hydrazinyl-6-methylpyridine-3-carboxylic acid
CID 82863432
4-(but-3-ynylamino)-6-methylpyridine-3-carboxylic acid
CID 81244685
6-methyl-4-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid
CID 81243971
6-methyl-4-(pyridin-4-ylmethylamino)pyridine-3-carboxylic acid
CID 81232379
4-(2,2-dicyclopropylethylamino)-6-methylpyridine-3-carboxylic acid
CID 81244397
6-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxylic acid
CID 81244294

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-methylpyridine-3-carboxylic acid (CID 81233393) is 4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-methylpyridine-3-carboxylic acid is Cc1cc(NCC(=O)N(C)C)c(C(=O)O)cn1.
What is the InChIKey of 4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-methylpyridine-3-carboxylic acid?
The InChIKey is OZFPRYSCGXNDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7-4-9(8(5-12-7)11(16)17)13-6-10(15)14(2)3/h4-5H,6H2,1-3H3,(H,12,13)(H,16,17).
What are the key properties of 4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-methylpyridine-3-carboxylic acid?
4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-methylpyridine-3-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 81233393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).