N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-2-carboxamide

C22H31N5O3S — CID 4851065

IUPACN-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
SMILESCCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)c2ccccn2)CC1
InChIInChI=1S/C22H31N5O3S/c1-4-25-13-15-26(16-14-25)21-11-10-18(31(29,30)27(5-2)6-3)17-20(21)24-22(28)19-9-7-8-12-23-19/h7-12,17H,4-6,13-16H2,1-3H3,(H,24,28)
InChIKeyHQTPMNLMWRMVOL-UHFFFAOYSA-N
MW445.59 g/mol
LogP2.51
Rot. Bonds8

About N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-2-carboxamide

N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-2-carboxamide (PubChem CID 4851065) has the molecular formula C22H31N5O3S and a molecular weight of 445.59 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
PubChem CID4851065
Molecular FormulaC22H31N5O3S
Molecular Weight445.59 g/mol
Exact Mass445.21
IUPAC NameN-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
SMILESCCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)c2ccccn2)CC1
InChIInChI=1S/C22H31N5O3S/c1-4-25-13-15-26(16-14-25)21-11-10-18(31(29,30)27(5-2)6-3)17-20(21)24-22(28)19-9-7-8-12-23-19/h7-12,17H,4-6,13-16H2,1-3H3,(H,24,28)
InChIKeyHQTPMNLMWRMVOL-UHFFFAOYSA-N
XLogP2.51
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-2-methylfuran-3-carboxamide
CID 55383928
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 26880756
N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methylphenyl)acetamide
CID 17431519
(1R)-N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 95298708
N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 55531791
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-1-benzofuran-2-carboxamide
CID 26880925
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 25406414
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(2-methoxyethoxy)benzamide
CID 55997175
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60529635
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 4795536
2-amino-N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 119829594
methyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]benzoate
CID 26880898

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-2-carboxamide (CID 4851065) is N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-2-carboxamide is CCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)c2ccccn2)CC1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is HQTPMNLMWRMVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O3S/c1-4-25-13-15-26(16-14-25)21-11-10-18(31(29,30)27(5-2)6-3)17-20(21)24-22(28)19-9-7-8-12-23-19/h7-12,17H,4-6,13-16H2,1-3H3,(H,24,28).
What are the key properties of N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-2-carboxamide?
N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 445.59 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 4851065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).