4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-carboxamide

C11H18N4O3S — CID 81242784

IUPAC4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)NCCNS(C)(=O)=O
InChIInChI=1S/C11H18N4O3S/c1-3-13-10-4-5-12-8-9(10)11(16)14-6-7-15-19(2,17)18/h4-5,8,15H,3,6-7H2,1-2H3,(H,12,13)(H,14,16)
InChIKeyKWLXHLKFBWNWCE-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.21
Rot. Bonds7

About 4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-carboxamide

4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-carboxamide (PubChem CID 81242784) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-carboxamide
PubChem CID81242784
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)NCCNS(C)(=O)=O
InChIInChI=1S/C11H18N4O3S/c1-3-13-10-4-5-12-8-9(10)11(16)14-6-7-15-19(2,17)18/h4-5,8,15H,3,6-7H2,1-2H3,(H,12,13)(H,14,16)
InChIKeyKWLXHLKFBWNWCE-UHFFFAOYSA-N
XLogP-0.21
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.21
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

N-[3-(methanesulfonamido)propyl]-4-(methylamino)pyridine-3-carboxamide
CID 106342407
4-(ethylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide
CID 81242250
N-(3-amino-3-oxopropyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81243085
N-[2-(dimethylamino)ethyl]-4-(ethylamino)pyridine-3-carboxamide
CID 81236873
3-chloro-N-[2-(methanesulfonamido)ethyl]pyridine-4-carboxamide
CID 66464224
N-(2,2-dimethylpropyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81242453
N-(2-methylsulfonylethyl)-4-(propylamino)pyridine-3-carboxamide
CID 81234637
4-(ethylamino)-N-(7-methyloctyl)pyridine-3-carboxamide
CID 107817983
4-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide
CID 106327044
N-(2,2-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide
CID 103464518
N-(2,3-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81246052
N-[2-(carbamoylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 83115001

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-carboxamide?
The IUPAC name of 4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-carboxamide (CID 81242784) is 4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-carboxamide is CCNc1ccncc1C(=O)NCCNS(C)(=O)=O.
What is the InChIKey of 4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-carboxamide?
The InChIKey is KWLXHLKFBWNWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-3-13-10-4-5-12-8-9(10)11(16)14-6-7-15-19(2,17)18/h4-5,8,15H,3,6-7H2,1-2H3,(H,12,13)(H,14,16).
What are the key properties of 4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-carboxamide?
4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-carboxamide has a molecular weight of 286.36 g/mol, XLogP of -0.21, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 81242784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).