5-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid

C11H15N3O3 — CID 106916049

IUPAC5-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
SMILESCNC(=O)CCN(C)c1ccc(C(=O)O)nc1
InChIInChI=1S/C11H15N3O3/c1-12-10(15)5-6-14(2)8-3-4-9(11(16)17)13-7-8/h3-4,7H,5-6H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyMYBURMGKMVPLFD-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.35
Rot. Bonds5

About 5-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid

5-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid (PubChem CID 106916049) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
PubChem CID106916049
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name5-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
SMILESCNC(=O)CCN(C)c1ccc(C(=O)O)nc1
InChIInChI=1S/C11H15N3O3/c1-12-10(15)5-6-14(2)8-3-4-9(11(16)17)13-7-8/h3-4,7H,5-6H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyMYBURMGKMVPLFD-UHFFFAOYSA-N
XLogP0.35
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[methyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 104638770
5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carboxylic acid
CID 113321661
3-[(2-chloro-4-pyridinyl)-methylamino]-N-methylpropanamide
CID 103756780
5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid
CID 105418652
3-[(5-aminopyrimidin-2-yl)-methylamino]-N-methylpropanamide
CID 106914145
4-[methyl-[3-(methylamino)-3-oxopropyl]amino]quinoline-2-carboxylic acid
CID 106916046
3-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide
CID 103580195
5-[methyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylic acid
CID 115490786
5-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81096535
5-[(2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylic acid
CID 113321608
3-[[5-(hydroxymethyl)pyrimidin-2-yl]-methylamino]-N-methylpropanamide
CID 106916351
5-(4-ethyl-N-methylanilino)pyridine-2-carboxylic acid
CID 113321588

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid (CID 106916049) is 5-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid is CNC(=O)CCN(C)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid?
The InChIKey is MYBURMGKMVPLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-12-10(15)5-6-14(2)8-3-4-9(11(16)17)13-7-8/h3-4,7H,5-6H2,1-2H3,(H,12,15)(H,16,17).
What are the key properties of 5-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid?
5-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 106916049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).