2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-3-carboxylic acid

C13H16N4O2 — CID 114198834

IUPAC2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-3-carboxylic acid
SMILESCCc1nn(C)cc1NCc1ncccc1C(=O)O
InChIInChI=1S/C13H16N4O2/c1-3-10-12(8-17(2)16-10)15-7-11-9(13(18)19)5-4-6-14-11/h4-6,8,15H,3,7H2,1-2H3,(H,18,19)
InChIKeyIUYPJWUEPAEUFP-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.69
Rot. Bonds5

About 2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-3-carboxylic acid

2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-3-carboxylic acid (PubChem CID 114198834) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-3-carboxylic acid
PubChem CID114198834
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-3-carboxylic acid
SMILESCCc1nn(C)cc1NCc1ncccc1C(=O)O
InChIInChI=1S/C13H16N4O2/c1-3-10-12(8-17(2)16-10)15-7-11-9(13(18)19)5-4-6-14-11/h4-6,8,15H,3,7H2,1-2H3,(H,18,19)
InChIKeyIUYPJWUEPAEUFP-UHFFFAOYSA-N
XLogP1.69
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-oxoethyl]benzoic acid
CID 107462256
2-[(3-fluoro-2-iodoanilino)methyl]pyridine-3-carboxylic acid
CID 114260572
3-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid
CID 107464523
3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]-2-methoxybenzoic acid
CID 166289655
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-phenylacetamide
CID 107462698
N-[(5-chloroquinolin-8-yl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909212
4-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2,3-difluorobenzoic acid
CID 107463581
3-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]pyridine-2-carbothioamide
CID 107463285
2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 107463376
N-(3-ethyl-1-methylpyrazol-4-yl)-2-iodobenzamide
CID 113349963
2-[(2-bromo-5-chloroanilino)methyl]pyridine-3-carboxylic acid
CID 114198763
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-methylacetamide
CID 107462767

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-3-carboxylic acid (CID 114198834) is 2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-3-carboxylic acid is CCc1nn(C)cc1NCc1ncccc1C(=O)O.
What is the InChIKey of 2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-3-carboxylic acid?
The InChIKey is IUYPJWUEPAEUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-3-10-12(8-17(2)16-10)15-7-11-9(13(18)19)5-4-6-14-11/h4-6,8,15H,3,7H2,1-2H3,(H,18,19).
What are the key properties of 2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-3-carboxylic acid?
2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-3-carboxylic acid has a molecular weight of 260.30 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 114198834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).