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

C12H15N5O2 — CID 107464523

IUPAC3-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid
SMILESCCc1nn(C)cc1Nc1nccc(C(=O)O)c1N
InChIInChI=1S/C12H15N5O2/c1-3-8-9(6-17(2)16-8)15-11-10(13)7(12(18)19)4-5-14-11/h4-6H,3,13H2,1-2H3,(H,14,15)(H,18,19)
InChIKeyGCYPQXVNWKJWBG-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.40
Rot. Bonds4

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

3-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid (PubChem CID 107464523) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 3-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid
PubChem CID107464523
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name3-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid
SMILESCCc1nn(C)cc1Nc1nccc(C(=O)O)c1N
InChIInChI=1S/C12H15N5O2/c1-3-8-9(6-17(2)16-8)15-11-10(13)7(12(18)19)4-5-14-11/h4-6H,3,13H2,1-2H3,(H,14,15)(H,18,19)
InChIKeyGCYPQXVNWKJWBG-UHFFFAOYSA-N
XLogP1.40
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-(3-ethyl-1-methylpyrazol-4-yl)pyrazine-2,3-diamine
CID 107465112
2-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-4-fluorobenzoic acid
CID 107464514
4-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2,3-difluorobenzoic acid
CID 107463581
5-amino-3-chloro-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzoic acid
CID 107464497
2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-3-carboxylic acid
CID 114198834
5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-nitrobenzoic acid
CID 107463417
3-amino-2-[(2-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid
CID 79043675
N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylpyridin-4-amine
CID 107463662
1-ethyl-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrazin-2-one
CID 113349594
6-N-(3-ethyl-1-methylpyrazol-4-yl)-7H-purine-2,6-diamine
CID 107465233
methyl 5-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzoate
CID 107464499
3-amino-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid
CID 106331142

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid (CID 107464523) is 3-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid is CCc1nn(C)cc1Nc1nccc(C(=O)O)c1N.
What is the InChIKey of 3-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid?
The InChIKey is GCYPQXVNWKJWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-3-8-9(6-17(2)16-8)15-11-10(13)7(12(18)19)4-5-14-11/h4-6H,3,13H2,1-2H3,(H,14,15)(H,18,19).
What are the key properties of 3-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid?
3-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid has a molecular weight of 261.29 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 107464523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).