4-N-(1,1-dioxothiolan-3-yl)-2-N-propylpyridine-2,4-dicarboxamide

C14H19N3O4S — CID 109077860

IUPAC4-N-(1,1-dioxothiolan-3-yl)-2-N-propylpyridine-2,4-dicarboxamide
SMILESCCCNC(=O)c1cc(C(=O)NC2CCS(=O)(=O)C2)ccn1
InChIInChI=1S/C14H19N3O4S/c1-2-5-16-14(19)12-8-10(3-6-15-12)13(18)17-11-4-7-22(20,21)9-11/h3,6,8,11H,2,4-5,7,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyOFGSRMASSNBVPB-UHFFFAOYSA-N
MW325.39 g/mol
LogP0.14
Rot. Bonds5

About 4-N-(1,1-dioxothiolan-3-yl)-2-N-propylpyridine-2,4-dicarboxamide

4-N-(1,1-dioxothiolan-3-yl)-2-N-propylpyridine-2,4-dicarboxamide (PubChem CID 109077860) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is 4-N-(1,1-dioxothiolan-3-yl)-2-N-propylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(1,1-dioxothiolan-3-yl)-2-N-propylpyridine-2,4-dicarboxamide
PubChem CID109077860
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC Name4-N-(1,1-dioxothiolan-3-yl)-2-N-propylpyridine-2,4-dicarboxamide
SMILESCCCNC(=O)c1cc(C(=O)NC2CCS(=O)(=O)C2)ccn1
InChIInChI=1S/C14H19N3O4S/c1-2-5-16-14(19)12-8-10(3-6-15-12)13(18)17-11-4-7-22(20,21)9-11/h3,6,8,11H,2,4-5,7,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyOFGSRMASSNBVPB-UHFFFAOYSA-N
XLogP0.14
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[3-(dimethylamino)propyl]-4-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide
CID 109084031
N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081834
3-N-(1,1-dioxothiolan-3-yl)-1-N-pentylbenzene-1,3-dicarboxamide
CID 109055570
2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109088353
4-N-(2,4-dimethylphenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide
CID 109088358
N-(1,1-dioxothiolan-3-yl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081063
4-N-butyl-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109079185
4-N-(2-methylpropyl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077815
2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109088375
4-N-(4-cyanophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide
CID 109088380
N-(1,1-dioxothiolan-3-yl)-2-(2-ethylanilino)pyridine-4-carboxamide
CID 109173265
4-N-(3-chlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide
CID 109088370

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,1-dioxothiolan-3-yl)-2-N-propylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(1,1-dioxothiolan-3-yl)-2-N-propylpyridine-2,4-dicarboxamide (CID 109077860) is 4-N-(1,1-dioxothiolan-3-yl)-2-N-propylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(1,1-dioxothiolan-3-yl)-2-N-propylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(1,1-dioxothiolan-3-yl)-2-N-propylpyridine-2,4-dicarboxamide is CCCNC(=O)c1cc(C(=O)NC2CCS(=O)(=O)C2)ccn1.
What is the InChIKey of 4-N-(1,1-dioxothiolan-3-yl)-2-N-propylpyridine-2,4-dicarboxamide?
The InChIKey is OFGSRMASSNBVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-2-5-16-14(19)12-8-10(3-6-15-12)13(18)17-11-4-7-22(20,21)9-11/h3,6,8,11H,2,4-5,7,9H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 4-N-(1,1-dioxothiolan-3-yl)-2-N-propylpyridine-2,4-dicarboxamide?
4-N-(1,1-dioxothiolan-3-yl)-2-N-propylpyridine-2,4-dicarboxamide has a molecular weight of 325.39 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,1-dioxothiolan-3-yl)-2-N-propylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109077860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).