2-[[5-chloro-2-[[4-methyl-1-(2-methylpropyl)pyrazol-5-yl]amino]-4-pyridinyl]amino]-N-methoxybenzamide

C21H25ClN6O2 — CID 46215100

IUPAC2-[[5-chloro-2-[[4-methyl-1-(2-methylpropyl)pyrazol-5-yl]amino]-4-pyridinyl]amino]-N-methoxybenzamide
SMILESCONC(=O)c1ccccc1Nc1cc(Nc2c(C)cnn2CC(C)C)ncc1Cl
InChIInChI=1S/C21H25ClN6O2/c1-13(2)12-28-20(14(3)10-24-28)26-19-9-18(16(22)11-23-19)25-17-8-6-5-7-15(17)21(29)27-30-4/h5-11,13H,12H2,1-4H3,(H,27,29)(H2,23,25,26)
InChIKeyMRJXSKFDGGGXTE-UHFFFAOYSA-N
MW428.92 g/mol
LogP4.67
Rot. Bonds8

About 2-[[5-chloro-2-[[4-methyl-1-(2-methylpropyl)pyrazol-5-yl]amino]-4-pyridinyl]amino]-N-methoxybenzamide

2-[[5-chloro-2-[[4-methyl-1-(2-methylpropyl)pyrazol-5-yl]amino]-4-pyridinyl]amino]-N-methoxybenzamide (PubChem CID 46215100) has the molecular formula C21H25ClN6O2 and a molecular weight of 428.92 g/mol. Its IUPAC name is 2-[[5-chloro-2-[[4-methyl-1-(2-methylpropyl)pyrazol-5-yl]amino]-4-pyridinyl]amino]-N-methoxybenzamide.

Molecular Properties

Compound Name2-[[5-chloro-2-[[4-methyl-1-(2-methylpropyl)pyrazol-5-yl]amino]-4-pyridinyl]amino]-N-methoxybenzamide
PubChem CID46215100
Molecular FormulaC21H25ClN6O2
Molecular Weight428.92 g/mol
Exact Mass428.17
IUPAC Name2-[[5-chloro-2-[[4-methyl-1-(2-methylpropyl)pyrazol-5-yl]amino]-4-pyridinyl]amino]-N-methoxybenzamide
SMILESCONC(=O)c1ccccc1Nc1cc(Nc2c(C)cnn2CC(C)C)ncc1Cl
InChIInChI=1S/C21H25ClN6O2/c1-13(2)12-28-20(14(3)10-24-28)26-19-9-18(16(22)11-23-19)25-17-8-6-5-7-15(17)21(29)27-30-4/h5-11,13H,12H2,1-4H3,(H,27,29)(H2,23,25,26)
InChIKeyMRJXSKFDGGGXTE-UHFFFAOYSA-N
XLogP4.67
TPSA93.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[5-chloro-2-[(1,4-dimethylpyrrol-2-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide
CID 135163292
2-[[5-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)amino]-4-pyridinyl]amino]-3-fluoro-N-methoxybenzamide
CID 54588991
[2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-3-(methoxycarbamoyl)phenyl] formate
CID 140550545
N-methoxy-4-[2-[methyl(methylsulfanyl)amino]anilino]-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide
CID 167101481
2-[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 25072546
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-methyl-1-(2-methylpropyl)pyrazol-5-yl]benzamide
CID 134699691
2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 4945322
2-[[5-amino-2-(4-amino-2-methoxyanilino)-4-pyridinyl]amino]-N-methylbenzamide
CID 89162964
[2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]phenyl]methanol
CID 147961652
N-methyl-4-[2-(methylcarbamoyl)anilino]-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide
CID 118473468
6-anilino-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109162100
ethyl 2-[[6-(butan-2-ylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109340941

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-[[4-methyl-1-(2-methylpropyl)pyrazol-5-yl]amino]-4-pyridinyl]amino]-N-methoxybenzamide?
The IUPAC name of 2-[[5-chloro-2-[[4-methyl-1-(2-methylpropyl)pyrazol-5-yl]amino]-4-pyridinyl]amino]-N-methoxybenzamide (CID 46215100) is 2-[[5-chloro-2-[[4-methyl-1-(2-methylpropyl)pyrazol-5-yl]amino]-4-pyridinyl]amino]-N-methoxybenzamide.
What is the SMILES notation for 2-[[5-chloro-2-[[4-methyl-1-(2-methylpropyl)pyrazol-5-yl]amino]-4-pyridinyl]amino]-N-methoxybenzamide?
The canonical SMILES for 2-[[5-chloro-2-[[4-methyl-1-(2-methylpropyl)pyrazol-5-yl]amino]-4-pyridinyl]amino]-N-methoxybenzamide is CONC(=O)c1ccccc1Nc1cc(Nc2c(C)cnn2CC(C)C)ncc1Cl.
What is the InChIKey of 2-[[5-chloro-2-[[4-methyl-1-(2-methylpropyl)pyrazol-5-yl]amino]-4-pyridinyl]amino]-N-methoxybenzamide?
The InChIKey is MRJXSKFDGGGXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN6O2/c1-13(2)12-28-20(14(3)10-24-28)26-19-9-18(16(22)11-23-19)25-17-8-6-5-7-15(17)21(29)27-30-4/h5-11,13H,12H2,1-4H3,(H,27,29)(H2,23,25,26).
What are the key properties of 2-[[5-chloro-2-[[4-methyl-1-(2-methylpropyl)pyrazol-5-yl]amino]-4-pyridinyl]amino]-N-methoxybenzamide?
2-[[5-chloro-2-[[4-methyl-1-(2-methylpropyl)pyrazol-5-yl]amino]-4-pyridinyl]amino]-N-methoxybenzamide has a molecular weight of 428.92 g/mol, XLogP of 4.67, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-[[4-methyl-1-(2-methylpropyl)pyrazol-5-yl]amino]-4-pyridinyl]amino]-N-methoxybenzamide is sourced from PubChem (CID 46215100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).