N-(1,1-dioxothiolan-3-yl)-2-(2-ethylanilino)pyridine-4-carboxamide

C18H21N3O3S — CID 109173265

IUPACN-(1,1-dioxothiolan-3-yl)-2-(2-ethylanilino)pyridine-4-carboxamide
SMILESCCc1ccccc1Nc1cc(C(=O)NC2CCS(=O)(=O)C2)ccn1
InChIInChI=1S/C18H21N3O3S/c1-2-13-5-3-4-6-16(13)21-17-11-14(7-9-19-17)18(22)20-15-8-10-25(23,24)12-15/h3-7,9,11,15H,2,8,10,12H2,1H3,(H,19,21)(H,20,22)
InChIKeyOXQPIORDVXSMID-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.30
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-2-(2-ethylanilino)pyridine-4-carboxamide

N-(1,1-dioxothiolan-3-yl)-2-(2-ethylanilino)pyridine-4-carboxamide (PubChem CID 109173265) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(2-ethylanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(2-ethylanilino)pyridine-4-carboxamide
PubChem CID109173265
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(2-ethylanilino)pyridine-4-carboxamide
SMILESCCc1ccccc1Nc1cc(C(=O)NC2CCS(=O)(=O)C2)ccn1
InChIInChI=1S/C18H21N3O3S/c1-2-13-5-3-4-6-16(13)21-17-11-14(7-9-19-17)18(22)20-15-8-10-25(23,24)12-15/h3-7,9,11,15H,2,8,10,12H2,1H3,(H,19,21)(H,20,22)
InChIKeyOXQPIORDVXSMID-UHFFFAOYSA-N
XLogP2.30
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-5-(2-ethylanilino)pyridine-3-carboxamide
CID 109237184
N-(1,1-dioxothiolan-3-yl)-6-(2-ethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109372466
N-(1,1-dioxothiolan-3-yl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172781
4-N-(1,1-dioxothiolan-3-yl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077860
2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide
CID 109173345
2-(cyclopropanecarbonylamino)-N-(1,1-dioxothian-3-yl)pyridine-4-carboxamide
CID 136541956
N-(1,1-dioxothiolan-3-yl)-6-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109159361
6-(2,3-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide
CID 109351835
N-(1,1-dioxothiolan-3-yl)-4-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109214874
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
2-N-(1,1-dioxothiolan-3-yl)-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109138204
N-(1,1-dioxothiolan-3-yl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108964648

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(2-ethylanilino)pyridine-4-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(2-ethylanilino)pyridine-4-carboxamide (CID 109173265) is N-(1,1-dioxothiolan-3-yl)-2-(2-ethylanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(2-ethylanilino)pyridine-4-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(2-ethylanilino)pyridine-4-carboxamide is CCc1ccccc1Nc1cc(C(=O)NC2CCS(=O)(=O)C2)ccn1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(2-ethylanilino)pyridine-4-carboxamide?
The InChIKey is OXQPIORDVXSMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-2-13-5-3-4-6-16(13)21-17-11-14(7-9-19-17)18(22)20-15-8-10-25(23,24)12-15/h3-7,9,11,15H,2,8,10,12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(2-ethylanilino)pyridine-4-carboxamide?
N-(1,1-dioxothiolan-3-yl)-2-(2-ethylanilino)pyridine-4-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(2-ethylanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109173265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).