3-[[1-[[methyl(2-methylpropyl)amino]methyl]-4-phenylpyrazol-3-yl]amino]pyridine-4-carboxylic acid

C21H25N5O2 — CID 118970248

IUPAC3-[[1-[[methyl(2-methylpropyl)amino]methyl]-4-phenylpyrazol-3-yl]amino]pyridine-4-carboxylic acid
SMILESCC(C)CN(C)Cn1cc(-c2ccccc2)c(Nc2cnccc2C(=O)O)n1
InChIInChI=1S/C21H25N5O2/c1-15(2)12-25(3)14-26-13-18(16-7-5-4-6-8-16)20(24-26)23-19-11-22-10-9-17(19)21(27)28/h4-11,13,15H,12,14H2,1-3H3,(H,23,24)(H,27,28)
InChIKeyTWNKTGQTMLZRNB-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.93
Rot. Bonds8

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

3-[[1-[[methyl(2-methylpropyl)amino]methyl]-4-phenylpyrazol-3-yl]amino]pyridine-4-carboxylic acid (PubChem CID 118970248) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-[[1-[[methyl(2-methylpropyl)amino]methyl]-4-phenylpyrazol-3-yl]amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[[1-[[methyl(2-methylpropyl)amino]methyl]-4-phenylpyrazol-3-yl]amino]pyridine-4-carboxylic acid
PubChem CID118970248
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name3-[[1-[[methyl(2-methylpropyl)amino]methyl]-4-phenylpyrazol-3-yl]amino]pyridine-4-carboxylic acid
SMILESCC(C)CN(C)Cn1cc(-c2ccccc2)c(Nc2cnccc2C(=O)O)n1
InChIInChI=1S/C21H25N5O2/c1-15(2)12-25(3)14-26-13-18(16-7-5-4-6-8-16)20(24-26)23-19-11-22-10-9-17(19)21(27)28/h4-11,13,15H,12,14H2,1-3H3,(H,23,24)(H,27,28)
InChIKeyTWNKTGQTMLZRNB-UHFFFAOYSA-N
XLogP3.93
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[1-[[methyl(2-methylpropyl)amino]methyl]-4-phenylpyrazol-3-yl]amino]pyridine-4-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

3-[[1-[(3S)-1-methylpyrrolidin-3-yl]-4-phenylpyrazol-3-yl]amino]pyridine-4-carboxylic acid
CID 145048511
3-(2-phenylanilino)pyridine-4-carboxylic acid
CID 71766720
3-[(1,4-dimethylpyrazol-3-yl)amino]pyridine-4-carboxylic acid
CID 118970057
3-[(5-methyl-3-phenyl-1H-pyrazol-4-yl)amino]pyridine-4-carboxylic acid
CID 118961751
3-[(2-methyl-4-phenylbutanoyl)amino]pyridine-4-carboxylic acid
CID 71767725
formic acid;4-methyl-N-[1-(1-methylpiperidin-4-yl)-4-phenylpyrazol-3-yl]pyridin-3-amine
CID 145048578
3-(4-hydroxybutan-2-ylamino)pyridine-4-carboxylic acid
CID 83187293
2-[(4-phenyl-3-pyridinyl)amino]propanoic acid
CID 68530289
4-[ethyl(2-methylpropyl)carbamoyl]pyridine-3-carboxylic acid
CID 114244330
3-[3-(2-methylpropyl)phenyl]pyridine-4-carboxylic acid
CID 116545176
3-[(1-methyl-4-phenylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid
CID 153148612
3-[[1-[(3R,4S)-4-methylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylic acid
CID 118961706

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[[methyl(2-methylpropyl)amino]methyl]-4-phenylpyrazol-3-yl]amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[[1-[[methyl(2-methylpropyl)amino]methyl]-4-phenylpyrazol-3-yl]amino]pyridine-4-carboxylic acid (CID 118970248) is 3-[[1-[[methyl(2-methylpropyl)amino]methyl]-4-phenylpyrazol-3-yl]amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[[1-[[methyl(2-methylpropyl)amino]methyl]-4-phenylpyrazol-3-yl]amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[[1-[[methyl(2-methylpropyl)amino]methyl]-4-phenylpyrazol-3-yl]amino]pyridine-4-carboxylic acid is CC(C)CN(C)Cn1cc(-c2ccccc2)c(Nc2cnccc2C(=O)O)n1.
What is the InChIKey of 3-[[1-[[methyl(2-methylpropyl)amino]methyl]-4-phenylpyrazol-3-yl]amino]pyridine-4-carboxylic acid?
The InChIKey is TWNKTGQTMLZRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-15(2)12-25(3)14-26-13-18(16-7-5-4-6-8-16)20(24-26)23-19-11-22-10-9-17(19)21(27)28/h4-11,13,15H,12,14H2,1-3H3,(H,23,24)(H,27,28).
What are the key properties of 3-[[1-[[methyl(2-methylpropyl)amino]methyl]-4-phenylpyrazol-3-yl]amino]pyridine-4-carboxylic acid?
3-[[1-[[methyl(2-methylpropyl)amino]methyl]-4-phenylpyrazol-3-yl]amino]pyridine-4-carboxylic acid has a molecular weight of 379.46 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[[methyl(2-methylpropyl)amino]methyl]-4-phenylpyrazol-3-yl]amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 118970248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).