6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridine-2-carboxamide

C12H20N4O3S — CID 106342410

IUPAC6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridine-2-carboxamide
SMILESCCNc1cccc(C(=O)NCCCNS(C)(=O)=O)n1
InChIInChI=1S/C12H20N4O3S/c1-3-13-11-7-4-6-10(16-11)12(17)14-8-5-9-15-20(2,18)19/h4,6-7,15H,3,5,8-9H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyPHNBFGKSIQEAIR-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.18
Rot. Bonds8

About 6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridine-2-carboxamide

6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridine-2-carboxamide (PubChem CID 106342410) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridine-2-carboxamide
PubChem CID106342410
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridine-2-carboxamide
SMILESCCNc1cccc(C(=O)NCCCNS(C)(=O)=O)n1
InChIInChI=1S/C12H20N4O3S/c1-3-13-11-7-4-6-10(16-11)12(17)14-8-5-9-15-20(2,18)19/h4,6-7,15H,3,5,8-9H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyPHNBFGKSIQEAIR-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'}

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Related Compounds

6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridazine-3-carboxamide
CID 106342396
N-(4-amino-4-oxobutyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62239477
6-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide
CID 62990248
6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 62240015
6-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide
CID 62238654
6-hydrazinyl-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide
CID 106340799
6-(ethylamino)-N-(2-methoxy-2-methylpropyl)pyridine-2-carboxamide
CID 104765646
N-[2-(ethylsulfamoyl)ethyl]-6-hydrazinylpyridine-2-carboxamide
CID 114175781
6-(ethylamino)-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
CID 62234153
6-(ethylamino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 62239102
6-amino-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide
CID 114175964
N,N-dibutyl-6-(ethylamino)pyridine-2-carboxamide
CID 62240821

Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridine-2-carboxamide?
The IUPAC name of 6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridine-2-carboxamide (CID 106342410) is 6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridine-2-carboxamide is CCNc1cccc(C(=O)NCCCNS(C)(=O)=O)n1.
What is the InChIKey of 6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridine-2-carboxamide?
The InChIKey is PHNBFGKSIQEAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-3-13-11-7-4-6-10(16-11)12(17)14-8-5-9-15-20(2,18)19/h4,6-7,15H,3,5,8-9H2,1-2H3,(H,13,16)(H,14,17).
What are the key properties of 6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridine-2-carboxamide?
6-(ethylamino)-N-[3-(methanesulfonamido)propyl]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 6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 106342410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).