N-[2-(ethylsulfamoyl)ethyl]-4-(propylamino)pyridine-2-carboxamide

C13H22N4O3S — CID 106342591

IUPACN-[2-(ethylsulfamoyl)ethyl]-4-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)NCCS(=O)(=O)NCC)c1
InChIInChI=1S/C13H22N4O3S/c1-3-6-14-11-5-7-15-12(10-11)13(18)16-8-9-21(19,20)17-4-2/h5,7,10,17H,3-4,6,8-9H2,1-2H3,(H,14,15)(H,16,18)
InChIKeySEWKSGAQTPJGSE-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.57
Rot. Bonds9

About N-[2-(ethylsulfamoyl)ethyl]-4-(propylamino)pyridine-2-carboxamide

N-[2-(ethylsulfamoyl)ethyl]-4-(propylamino)pyridine-2-carboxamide (PubChem CID 106342591) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[2-(ethylsulfamoyl)ethyl]-4-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylsulfamoyl)ethyl]-4-(propylamino)pyridine-2-carboxamide
PubChem CID106342591
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC NameN-[2-(ethylsulfamoyl)ethyl]-4-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)NCCS(=O)(=O)NCC)c1
InChIInChI=1S/C13H22N4O3S/c1-3-6-14-11-5-7-15-12(10-11)13(18)16-8-9-21(19,20)17-4-2/h5,7,10,17H,3-4,6,8-9H2,1-2H3,(H,14,15)(H,16,18)
InChIKeySEWKSGAQTPJGSE-UHFFFAOYSA-N
XLogP0.57
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylamino)-N-[2-(ethylsulfamoyl)ethyl]pyridine-2-carboxamide
CID 106342560
N-[2-(methanesulfonamido)ethyl]-4-(propylamino)pyridine-2-carboxamide
CID 62168705
4-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62172967
N-ethyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide
CID 55101029
4-(propylamino)-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide
CID 62172972
N-[2-(dimethylamino)propyl]-4-(propylamino)pyridine-2-carboxamide
CID 55047383
N-[(4-fluorophenyl)methyl]-4-(propylamino)pyridine-2-carboxamide
CID 62167261
4-(ethylamino)-N-[2-oxo-2-(propylamino)ethyl]pyridine-2-carboxamide
CID 55046976
N-(2,6-difluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62165268
N,N-diethyl-4-(propylamino)pyridine-2-carboxamide
CID 43395263
N-(cyclohexylmethyl)-4-(propylamino)pyridine-2-carboxamide
CID 62169677
4-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-carboxamide
CID 63963789

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylsulfamoyl)ethyl]-4-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-[2-(ethylsulfamoyl)ethyl]-4-(propylamino)pyridine-2-carboxamide (CID 106342591) is N-[2-(ethylsulfamoyl)ethyl]-4-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(ethylsulfamoyl)ethyl]-4-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(ethylsulfamoyl)ethyl]-4-(propylamino)pyridine-2-carboxamide is CCCNc1ccnc(C(=O)NCCS(=O)(=O)NCC)c1.
What is the InChIKey of N-[2-(ethylsulfamoyl)ethyl]-4-(propylamino)pyridine-2-carboxamide?
The InChIKey is SEWKSGAQTPJGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-3-6-14-11-5-7-15-12(10-11)13(18)16-8-9-21(19,20)17-4-2/h5,7,10,17H,3-4,6,8-9H2,1-2H3,(H,14,15)(H,16,18).
What are the key properties of N-[2-(ethylsulfamoyl)ethyl]-4-(propylamino)pyridine-2-carboxamide?
N-[2-(ethylsulfamoyl)ethyl]-4-(propylamino)pyridine-2-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 0.57, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylsulfamoyl)ethyl]-4-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 106342591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).