2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]pyridine-3-carboxylic acid

C13H19N3O3 — CID 114198494

IUPAC2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]pyridine-3-carboxylic acid
SMILESCC(C)NC(=O)CN(C)Cc1ncccc1C(=O)O
InChIInChI=1S/C13H19N3O3/c1-9(2)15-12(17)8-16(3)7-11-10(13(18)19)5-4-6-14-11/h4-6,9H,7-8H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyQVUZKKOJOPLMFL-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.74
Rot. Bonds6

About 2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]pyridine-3-carboxylic acid

2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]pyridine-3-carboxylic acid (PubChem CID 114198494) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]pyridine-3-carboxylic acid
PubChem CID114198494
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]pyridine-3-carboxylic acid
SMILESCC(C)NC(=O)CN(C)Cc1ncccc1C(=O)O
InChIInChI=1S/C13H19N3O3/c1-9(2)15-12(17)8-16(3)7-11-10(13(18)19)5-4-6-14-11/h4-6,9H,7-8H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyQVUZKKOJOPLMFL-UHFFFAOYSA-N
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid
CID 63615578
2-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid
CID 82187670
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzoic acid
CID 55037894
2-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylic acid
CID 114198580
2-bromo-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 103753987
2-(2-methylpropyl)pyridine-3-carboxylic acid
CID 83914927
2-[methyl-[[4-(methylamino)-2-pyridinyl]methyl]amino]-N-propan-2-ylacetamide
CID 79245478
2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]pyridine-3-carboxylic acid
CID 146135062
3-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzoic acid
CID 54940692
2-[(3,6-dichloro-2-pyridinyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 62892164
2-[(2S)-3-carboxy-2-methylpropyl]pyridine-3-carboxylic acid
CID 163000699

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]pyridine-3-carboxylic acid (CID 114198494) is 2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]pyridine-3-carboxylic acid is CC(C)NC(=O)CN(C)Cc1ncccc1C(=O)O.
What is the InChIKey of 2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]pyridine-3-carboxylic acid?
The InChIKey is QVUZKKOJOPLMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(2)15-12(17)8-16(3)7-11-10(13(18)19)5-4-6-14-11/h4-6,9H,7-8H2,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]pyridine-3-carboxylic acid?
2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]pyridine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 114198494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).