N-(1,1-dioxothiolan-3-yl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide

C19H23N3O4S — CID 109237215

IUPACN-(1,1-dioxothiolan-3-yl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(Nc2cncc(C(=O)NC3CCS(=O)(=O)C3)c2)cc1
InChIInChI=1S/C19H23N3O4S/c1-13(2)26-18-5-3-15(4-6-18)21-17-9-14(10-20-11-17)19(23)22-16-7-8-27(24,25)12-16/h3-6,9-11,13,16,21H,7-8,12H2,1-2H3,(H,22,23)
InChIKeyPJMMSFVTUQGFOV-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.53
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide

N-(1,1-dioxothiolan-3-yl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide (PubChem CID 109237215) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
PubChem CID109237215
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-(1,1-dioxothiolan-3-yl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(Nc2cncc(C(=O)NC3CCS(=O)(=O)C3)c2)cc1
InChIInChI=1S/C19H23N3O4S/c1-13(2)26-18-5-3-15(4-6-18)21-17-9-14(10-20-11-17)19(23)22-16-7-8-27(24,25)12-16/h3-6,9-11,13,16,21H,7-8,12H2,1-2H3,(H,22,23)
InChIKeyPJMMSFVTUQGFOV-UHFFFAOYSA-N
XLogP2.53
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109226756
methyl 4-[[5-[(1,1-dioxothiolan-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109237228
N-[(3S)-1,1-dioxothiolan-3-yl]-4-propan-2-yloxybenzamide
CID 7164305
N-(1,1-dioxothiolan-3-yl)-5-(3-methylanilino)pyridine-3-carboxamide
CID 109237173
N-(1,1-dioxothiolan-3-yl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109224965
N-(1,1-dioxothiolan-3-yl)-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109237163
5-N-(1,1-dioxothiolan-3-yl)-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109106500
N-(1,1-dioxothiolan-3-yl)-5-(2-ethylanilino)pyridine-3-carboxamide
CID 109237184
5-(4-propan-2-ylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109243870
5-N-(1,1-dioxothiolan-3-yl)-3-N-(3-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109106519
(4-methylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone
CID 109227120
N-(1-phenylethyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109232839

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide (CID 109237215) is N-(1,1-dioxothiolan-3-yl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide is CC(C)Oc1ccc(Nc2cncc(C(=O)NC3CCS(=O)(=O)C3)c2)cc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide?
The InChIKey is PJMMSFVTUQGFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-13(2)26-18-5-3-15(4-6-18)21-17-9-14(10-20-11-17)19(23)22-16-7-8-27(24,25)12-16/h3-6,9-11,13,16,21H,7-8,12H2,1-2H3,(H,22,23).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 2.53, 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)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109237215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).