2-N-[[1-[3-chloro-4-(dimethylsulfamoyl)phenyl]pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide

C22H25ClN6O4S — CID 59406318

IUPAC2-N-[[1-[3-chloro-4-(dimethylsulfamoyl)phenyl]pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
SMILESCC(C)NC(=O)c1cccc(C(=O)NCc2cnn(-c3ccc(S(=O)(=O)N(C)C)c(Cl)c3)c2)n1
InChIInChI=1S/C22H25ClN6O4S/c1-14(2)26-22(31)19-7-5-6-18(27-19)21(30)24-11-15-12-25-29(13-15)16-8-9-20(17(23)10-16)34(32,33)28(3)4/h5-10,12-14H,11H2,1-4H3,(H,24,30)(H,26,31)
InChIKeyVHAIGEIGKQBJIA-UHFFFAOYSA-N
MW505.00 g/mol
LogP2.24
Rot. Bonds8

About 2-N-[[1-[3-chloro-4-(dimethylsulfamoyl)phenyl]pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide

2-N-[[1-[3-chloro-4-(dimethylsulfamoyl)phenyl]pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide (PubChem CID 59406318) has the molecular formula C22H25ClN6O4S and a molecular weight of 505.00 g/mol. Its IUPAC name is 2-N-[[1-[3-chloro-4-(dimethylsulfamoyl)phenyl]pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-[[1-[3-chloro-4-(dimethylsulfamoyl)phenyl]pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
PubChem CID59406318
Molecular FormulaC22H25ClN6O4S
Molecular Weight505.00 g/mol
Exact Mass504.13
IUPAC Name2-N-[[1-[3-chloro-4-(dimethylsulfamoyl)phenyl]pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
SMILESCC(C)NC(=O)c1cccc(C(=O)NCc2cnn(-c3ccc(S(=O)(=O)N(C)C)c(Cl)c3)c2)n1
InChIInChI=1S/C22H25ClN6O4S/c1-14(2)26-22(31)19-7-5-6-18(27-19)21(30)24-11-15-12-25-29(13-15)16-8-9-20(17(23)10-16)34(32,33)28(3)4/h5-10,12-14H,11H2,1-4H3,(H,24,30)(H,26,31)
InChIKeyVHAIGEIGKQBJIA-UHFFFAOYSA-N
XLogP2.24
TPSA126.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.00
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-[[1-[3-chloro-4-(dimethylsulfamoyl)phenyl]pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide 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

2-N-[[1-[4-(aminomethyl)phenyl]pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 59406350
2-N-[[1-(5-amino-3-pyridinyl)pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 70303037
2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide
CID 39058604
2-N-[(2-chlorophenyl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093646
2-N-[(4-fluorophenyl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093645
2-chloro-5-(diethylsulfamoyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 17483208
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 86968649
methyl N-[6-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methylcarbamoyl]-2-pyridinyl]carbamate
CID 59406385
2,3-dichloro-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]benzamide
CID 86968465
2-N-[[3-(3-aminophenyl)phenyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 70304756
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-benzofuran-2-carboxamide
CID 86968691
2-chloro-5-(dimethylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 134000628

Frequently Asked Questions

What is the IUPAC name of 2-N-[[1-[3-chloro-4-(dimethylsulfamoyl)phenyl]pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-[[1-[3-chloro-4-(dimethylsulfamoyl)phenyl]pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide (CID 59406318) is 2-N-[[1-[3-chloro-4-(dimethylsulfamoyl)phenyl]pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-[[1-[3-chloro-4-(dimethylsulfamoyl)phenyl]pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-[[1-[3-chloro-4-(dimethylsulfamoyl)phenyl]pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide is CC(C)NC(=O)c1cccc(C(=O)NCc2cnn(-c3ccc(S(=O)(=O)N(C)C)c(Cl)c3)c2)n1.
What is the InChIKey of 2-N-[[1-[3-chloro-4-(dimethylsulfamoyl)phenyl]pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide?
The InChIKey is VHAIGEIGKQBJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O4S/c1-14(2)26-22(31)19-7-5-6-18(27-19)21(30)24-11-15-12-25-29(13-15)16-8-9-20(17(23)10-16)34(32,33)28(3)4/h5-10,12-14H,11H2,1-4H3,(H,24,30)(H,26,31).
What are the key properties of 2-N-[[1-[3-chloro-4-(dimethylsulfamoyl)phenyl]pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide?
2-N-[[1-[3-chloro-4-(dimethylsulfamoyl)phenyl]pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide has a molecular weight of 505.00 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[1-[3-chloro-4-(dimethylsulfamoyl)phenyl]pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 59406318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).