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

C18H21N3O4S — CID 109214874

IUPACN-(1,1-dioxothiolan-3-yl)-4-(2-ethoxyanilino)pyridine-2-carboxamide
SMILESCCOc1ccccc1Nc1ccnc(C(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C18H21N3O4S/c1-2-25-17-6-4-3-5-15(17)20-13-7-9-19-16(11-13)18(22)21-14-8-10-26(23,24)12-14/h3-7,9,11,14H,2,8,10,12H2,1H3,(H,19,20)(H,21,22)
InChIKeyGIPPROPOBKZJQQ-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.14
Rot. Bonds6

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

N-(1,1-dioxothiolan-3-yl)-4-(2-ethoxyanilino)pyridine-2-carboxamide (PubChem CID 109214874) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-4-(2-ethoxyanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-4-(2-ethoxyanilino)pyridine-2-carboxamide
PubChem CID109214874
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-(1,1-dioxothiolan-3-yl)-4-(2-ethoxyanilino)pyridine-2-carboxamide
SMILESCCOc1ccccc1Nc1ccnc(C(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C18H21N3O4S/c1-2-25-17-6-4-3-5-15(17)20-13-7-9-19-16(11-13)18(22)21-14-8-10-26(23,24)12-14/h3-7,9,11,14H,2,8,10,12H2,1H3,(H,19,20)(H,21,22)
InChIKeyGIPPROPOBKZJQQ-UHFFFAOYSA-N
XLogP2.14
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-5-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109193090
methyl 2-[[2-[(1,1-dioxothiolan-3-yl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109214889
N-(1,1-dioxothiolan-3-yl)-4-(2-fluoroanilino)pyridine-2-carboxamide
CID 109214858
N-(1,1-dioxothiolan-3-yl)-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212055
4-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109214961
N-(1,1-dioxothian-3-yl)-4-(ethylamino)pyridine-2-carboxamide
CID 63917314
4-(2-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109217325
N-(1,1-dioxothiolan-3-yl)-4-(3-methylbutylamino)pyridine-2-carboxamide
CID 109214826
N-(4-chlorophenyl)-4-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109221025
N-(3,5-dimethylphenyl)-4-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109219935
4-(2-ethoxyanilino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109219228
N-(1,1-dioxothiolan-3-yl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109211268

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-(2-ethoxyanilino)pyridine-2-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-(2-ethoxyanilino)pyridine-2-carboxamide (CID 109214874) is N-(1,1-dioxothiolan-3-yl)-4-(2-ethoxyanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-4-(2-ethoxyanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-4-(2-ethoxyanilino)pyridine-2-carboxamide is CCOc1ccccc1Nc1ccnc(C(=O)NC2CCS(=O)(=O)C2)c1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-4-(2-ethoxyanilino)pyridine-2-carboxamide?
The InChIKey is GIPPROPOBKZJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-2-25-17-6-4-3-5-15(17)20-13-7-9-19-16(11-13)18(22)21-14-8-10-26(23,24)12-14/h3-7,9,11,14H,2,8,10,12H2,1H3,(H,19,20)(H,21,22).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-4-(2-ethoxyanilino)pyridine-2-carboxamide?
N-(1,1-dioxothiolan-3-yl)-4-(2-ethoxyanilino)pyridine-2-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-4-(2-ethoxyanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109214874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).