3-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid

C13H19N3O3 — CID 105062817

IUPAC3-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
SMILESCC(C)CNC(=O)CN(C)c1cnccc1C(=O)O
InChIInChI=1S/C13H19N3O3/c1-9(2)6-15-12(17)8-16(3)11-7-14-5-4-10(11)13(18)19/h4-5,7,9H,6,8H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyGPMLTEDGXBGSRB-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.99
Rot. Bonds6

About 3-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid

3-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid (PubChem CID 105062817) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
PubChem CID105062817
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
SMILESCC(C)CNC(=O)CN(C)c1cnccc1C(=O)O
InChIInChI=1S/C13H19N3O3/c1-9(2)6-15-12(17)8-16(3)11-7-14-5-4-10(11)13(18)19/h4-5,7,9H,6,8H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyGPMLTEDGXBGSRB-UHFFFAOYSA-N
XLogP0.99
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromo-4-pyridinyl)-methylamino]-N-(2-methylpropyl)acetamide
CID 104778623
3-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid
CID 114288792
2-[(4-carbamothioyl-3-pyridinyl)-methylamino]-N-propylacetamide
CID 113269585
2-(N-methyl-2-phenoxyanilino)-N-(2-methylpropyl)acetamide
CID 56549439
5-amino-6-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 114407703
3-[2-cyanoethyl(methyl)amino]pyridine-4-carboxylic acid
CID 105062562
3-[3-methoxypropyl(methyl)amino]pyridine-4-carboxylic acid
CID 114288657
4-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 114244443
2-(4-amino-N,2-dimethylanilino)-N-(2-methylpropyl)acetamide
CID 113408910
2-[2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethyl]benzoic acid
CID 104548635
3-methoxy-N-(2-methylpropyl)pyridine-4-carboxamide
CID 105063807
4-[1-methoxypropan-2-yl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 114244358

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid (CID 105062817) is 3-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid is CC(C)CNC(=O)CN(C)c1cnccc1C(=O)O.
What is the InChIKey of 3-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid?
The InChIKey is GPMLTEDGXBGSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(2)6-15-12(17)8-16(3)11-7-14-5-4-10(11)13(18)19/h4-5,7,9H,6,8H2,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 3-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid?
3-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 105062817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).