4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid

C13H16N4O2 — CID 79241762

IUPAC4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid
SMILESCc1nn(C)c(C)c1CNc1ccnc(C(=O)O)c1
InChIInChI=1S/C13H16N4O2/c1-8-11(9(2)17(3)16-8)7-15-10-4-5-14-12(6-10)13(18)19/h4-6H,7H2,1-3H3,(H,14,15)(H,18,19)
InChIKeyHYFOTQFBVUPKQX-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.74
Rot. Bonds4

About 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid

4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid (PubChem CID 79241762) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid
PubChem CID79241762
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid
SMILESCc1nn(C)c(C)c1CNc1ccnc(C(=O)O)c1
InChIInChI=1S/C13H16N4O2/c1-8-11(9(2)17(3)16-8)7-15-10-4-5-14-12(6-10)13(18)19/h4-6H,7H2,1-3H3,(H,14,15)(H,18,19)
InChIKeyHYFOTQFBVUPKQX-UHFFFAOYSA-N
XLogP1.74
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(ethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 79231660
2-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-4-amine
CID 80525912
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide
CID 28614415
methyl 2-chloro-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzoate
CID 43672647
methyl N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate
CID 43730207
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinolin-6-amine
CID 62636139
4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carboxylic acid
CID 55219505
4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 78995441
3-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 28618675
1-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]butan-1-one
CID 68722977
methyl N-[2-fluoro-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate
CID 75502427
3-(2-methoxyethoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 60935772

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid (CID 79241762) is 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid is Cc1nn(C)c(C)c1CNc1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid?
The InChIKey is HYFOTQFBVUPKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8-11(9(2)17(3)16-8)7-15-10-4-5-14-12(6-10)13(18)19/h4-6H,7H2,1-3H3,(H,14,15)(H,18,19).
What are the key properties of 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid?
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid has a molecular weight of 260.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 79241762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).