6-(diethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-3-carboxamide

C16H28N4O3S — CID 48679346

IUPAC6-(diethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(C(=O)NCCCN(CC)S(C)(=O)=O)cn1
InChIInChI=1S/C16H28N4O3S/c1-5-19(6-2)15-10-9-14(13-18-15)16(21)17-11-8-12-20(7-3)24(4,22)23/h9-10,13H,5-8,11-12H2,1-4H3,(H,17,21)
InChIKeyHDORMVMFWLDFKW-UHFFFAOYSA-N
MW356.49 g/mol
LogP1.33
Rot. Bonds10

About 6-(diethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-3-carboxamide

6-(diethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-3-carboxamide (PubChem CID 48679346) has the molecular formula C16H28N4O3S and a molecular weight of 356.49 g/mol. Its IUPAC name is 6-(diethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(diethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-3-carboxamide
PubChem CID48679346
Molecular FormulaC16H28N4O3S
Molecular Weight356.49 g/mol
Exact Mass356.19
IUPAC Name6-(diethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(C(=O)NCCCN(CC)S(C)(=O)=O)cn1
InChIInChI=1S/C16H28N4O3S/c1-5-19(6-2)15-10-9-14(13-18-15)16(21)17-11-8-12-20(7-3)24(4,22)23/h9-10,13H,5-8,11-12H2,1-4H3,(H,17,21)
InChIKeyHDORMVMFWLDFKW-UHFFFAOYSA-N
XLogP1.33
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.33
H-Bond Donors ≤ 51
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-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-3-carboxamide
CID 63977817
6-(diethylamino)-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 110907815
6-(diethylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide
CID 47080116
4-bromo-3-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide
CID 80974274
3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-4-fluorobenzamide
CID 61139821
N-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-2-carboxamide
CID 115497535
6-(diethylamino)-N-(3-hydroxy-3-phenylpropyl)pyridine-3-carboxamide
CID 111471680
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide
CID 60552295
6-(diethylamino)-N-(1-methylcyclohexyl)pyridine-3-carboxamide
CID 86847937
6-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridazine-3-carboxamide
CID 61053648
3-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-4-carboxamide
CID 66484906
1-ethyl-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzotriazole-5-carboxamide
CID 60552393

Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-3-carboxamide?
The IUPAC name of 6-(diethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-3-carboxamide (CID 48679346) is 6-(diethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(diethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(diethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-3-carboxamide is CCN(CC)c1ccc(C(=O)NCCCN(CC)S(C)(=O)=O)cn1.
What is the InChIKey of 6-(diethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-3-carboxamide?
The InChIKey is HDORMVMFWLDFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3S/c1-5-19(6-2)15-10-9-14(13-18-15)16(21)17-11-8-12-20(7-3)24(4,22)23/h9-10,13H,5-8,11-12H2,1-4H3,(H,17,21).
What are the key properties of 6-(diethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-3-carboxamide?
6-(diethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-3-carboxamide has a molecular weight of 356.49 g/mol, XLogP of 1.33, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 48679346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).