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

C12H20N4O3S — CID 62168705

IUPACN-[2-(methanesulfonamido)ethyl]-4-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)NCCNS(C)(=O)=O)c1
InChIInChI=1S/C12H20N4O3S/c1-3-5-13-10-4-6-14-11(9-10)12(17)15-7-8-16-20(2,18)19/h4,6,9,16H,3,5,7-8H2,1-2H3,(H,13,14)(H,15,17)
InChIKeyXPRGAZXXOOBNKW-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.18
Rot. Bonds8

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

N-[2-(methanesulfonamido)ethyl]-4-(propylamino)pyridine-2-carboxamide (PubChem CID 62168705) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)ethyl]-4-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)ethyl]-4-(propylamino)pyridine-2-carboxamide
PubChem CID62168705
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC NameN-[2-(methanesulfonamido)ethyl]-4-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)NCCNS(C)(=O)=O)c1
InChIInChI=1S/C12H20N4O3S/c1-3-5-13-10-4-6-14-11(9-10)12(17)15-7-8-16-20(2,18)19/h4,6,9,16H,3,5,7-8H2,1-2H3,(H,13,14)(H,15,17)
InChIKeyXPRGAZXXOOBNKW-UHFFFAOYSA-N
XLogP0.18
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

N-[2-(ethylsulfamoyl)ethyl]-4-(propylamino)pyridine-2-carboxamide
CID 106342591
4-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62172967
4-(propylamino)-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide
CID 62172972
N-ethyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide
CID 55101029
N-[(4-fluorophenyl)methyl]-4-(propylamino)pyridine-2-carboxamide
CID 62167261
N-[2-(dimethylamino)propyl]-4-(propylamino)pyridine-2-carboxamide
CID 55047383
4-(ethylamino)-N-[2-(ethylsulfamoyl)ethyl]pyridine-2-carboxamide
CID 106342560
N-(4-acetylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 109201249
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
N-pentan-2-yl-4-(propylamino)pyridine-2-carboxamide
CID 62185598

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)ethyl]-4-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-[2-(methanesulfonamido)ethyl]-4-(propylamino)pyridine-2-carboxamide (CID 62168705) is N-[2-(methanesulfonamido)ethyl]-4-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(methanesulfonamido)ethyl]-4-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(methanesulfonamido)ethyl]-4-(propylamino)pyridine-2-carboxamide is CCCNc1ccnc(C(=O)NCCNS(C)(=O)=O)c1.
What is the InChIKey of N-[2-(methanesulfonamido)ethyl]-4-(propylamino)pyridine-2-carboxamide?
The InChIKey is XPRGAZXXOOBNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-3-5-13-10-4-6-14-11(9-10)12(17)15-7-8-16-20(2,18)19/h4,6,9,16H,3,5,7-8H2,1-2H3,(H,13,14)(H,15,17).
What are the key properties of N-[2-(methanesulfonamido)ethyl]-4-(propylamino)pyridine-2-carboxamide?
N-[2-(methanesulfonamido)ethyl]-4-(propylamino)pyridine-2-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 0.18, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)ethyl]-4-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62168705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).