N'-(4,6-dimethylpyrimidin-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide

C19H25N5O3S — CID 26120234

IUPACN'-(4,6-dimethylpyrimidin-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide
SMILESCc1cc(C)nc(NNC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)n1
InChIInChI=1S/C19H25N5O3S/c1-13-8-10-24(11-9-13)28(26,27)17-6-4-16(5-7-17)18(25)22-23-19-20-14(2)12-15(3)21-19/h4-7,12-13H,8-11H2,1-3H3,(H,22,25)(H,20,21,23)
InChIKeyKTRGUGXCFUQIEW-UHFFFAOYSA-N
MW403.51 g/mol
LogP2.27
Rot. Bonds5

About N'-(4,6-dimethylpyrimidin-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide

N'-(4,6-dimethylpyrimidin-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide (PubChem CID 26120234) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is N'-(4,6-dimethylpyrimidin-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(4,6-dimethylpyrimidin-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide
PubChem CID26120234
Molecular FormulaC19H25N5O3S
Molecular Weight403.51 g/mol
Exact Mass403.17
IUPAC NameN'-(4,6-dimethylpyrimidin-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide
SMILESCc1cc(C)nc(NNC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)n1
InChIInChI=1S/C19H25N5O3S/c1-13-8-10-24(11-9-13)28(26,27)17-6-4-16(5-7-17)18(25)22-23-19-20-14(2)12-15(3)21-19/h4-7,12-13H,8-11H2,1-3H3,(H,22,25)(H,20,21,23)
InChIKeyKTRGUGXCFUQIEW-UHFFFAOYSA-N
XLogP2.27
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methylpiperidin-1-yl)sulfonyl-N-(1-pyridin-4-ylethyl)benzamide
CID 24542593
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 108807916
4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-2-pyridinyl)benzamide
CID 24982872
4-(4-methylpiperidin-1-yl)sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55754023
4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide
CID 7536036
N-(4-fluoro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 26239772
N-(2-methyl-1,3-benzoxazol-5-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 26698015
4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1010611
N-(1-adamantyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 2927302
N'-(4-bromobenzoyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide
CID 2953885
N-(3-chloro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 26115158
N'-[2-(4-methoxyanilino)acetyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide
CID 55350935

Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide?
The IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide (CID 26120234) is N'-(4,6-dimethylpyrimidin-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide.
What is the SMILES notation for N'-(4,6-dimethylpyrimidin-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide?
The canonical SMILES for N'-(4,6-dimethylpyrimidin-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide is Cc1cc(C)nc(NNC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)n1.
What is the InChIKey of N'-(4,6-dimethylpyrimidin-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide?
The InChIKey is KTRGUGXCFUQIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3S/c1-13-8-10-24(11-9-13)28(26,27)17-6-4-16(5-7-17)18(25)22-23-19-20-14(2)12-15(3)21-19/h4-7,12-13H,8-11H2,1-3H3,(H,22,25)(H,20,21,23).
What are the key properties of N'-(4,6-dimethylpyrimidin-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide?
N'-(4,6-dimethylpyrimidin-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide has a molecular weight of 403.51 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethylpyrimidin-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide is sourced from PubChem (CID 26120234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).