2-N-[3-(dimethylamino)propyl]-4-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide

C16H24N4O4S — CID 109084031

IUPAC2-N-[3-(dimethylamino)propyl]-4-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide
SMILESCN(C)CCCNC(=O)c1cc(C(=O)NC2CCS(=O)(=O)C2)ccn1
InChIInChI=1S/C16H24N4O4S/c1-20(2)8-3-6-18-16(22)14-10-12(4-7-17-14)15(21)19-13-5-9-25(23,24)11-13/h4,7,10,13H,3,5-6,8-9,11H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyKOLPEBUHZGRDQE-UHFFFAOYSA-N
MW368.46 g/mol
LogP-0.32
Rot. Bonds7

About 2-N-[3-(dimethylamino)propyl]-4-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide

2-N-[3-(dimethylamino)propyl]-4-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide (PubChem CID 109084031) has the molecular formula C16H24N4O4S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)propyl]-4-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)propyl]-4-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide
PubChem CID109084031
Molecular FormulaC16H24N4O4S
Molecular Weight368.46 g/mol
Exact Mass368.15
IUPAC Name2-N-[3-(dimethylamino)propyl]-4-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide
SMILESCN(C)CCCNC(=O)c1cc(C(=O)NC2CCS(=O)(=O)C2)ccn1
InChIInChI=1S/C16H24N4O4S/c1-20(2)8-3-6-18-16(22)14-10-12(4-7-17-14)15(21)19-13-5-9-25(23,24)11-13/h4,7,10,13H,3,5-6,8-9,11H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyKOLPEBUHZGRDQE-UHFFFAOYSA-N
XLogP-0.32
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-(1,1-dioxothiolan-3-yl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077860
2-N-[3-(dimethylamino)propyl]-4-N-(1,1-dioxothiolan-3-yl)-4-N-ethylpyridine-2,4-dicarboxamide
CID 109084037
4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109083911
N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081834
3-N-[2-(dimethylamino)ethyl]-5-N-(1,1-dioxothiolan-3-yl)pyridine-3,5-dicarboxamide
CID 109104054
4-N-[3-(dimethylamino)propyl]-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078222
N-[2-(dimethylamino)ethyl]-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-4-carboxamide
CID 109301260
4-N-[2-(dimethylamino)ethyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082641
3-N-cyclopropyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109050681
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

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)propyl]-4-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-[3-(dimethylamino)propyl]-4-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide (CID 109084031) is 2-N-[3-(dimethylamino)propyl]-4-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[3-(dimethylamino)propyl]-4-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-[3-(dimethylamino)propyl]-4-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide is CN(C)CCCNC(=O)c1cc(C(=O)NC2CCS(=O)(=O)C2)ccn1.
What is the InChIKey of 2-N-[3-(dimethylamino)propyl]-4-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide?
The InChIKey is KOLPEBUHZGRDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S/c1-20(2)8-3-6-18-16(22)14-10-12(4-7-17-14)15(21)19-13-5-9-25(23,24)11-13/h4,7,10,13H,3,5-6,8-9,11H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of 2-N-[3-(dimethylamino)propyl]-4-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide?
2-N-[3-(dimethylamino)propyl]-4-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide has a molecular weight of 368.46 g/mol, XLogP of -0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)propyl]-4-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109084031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).