2-[(1,1-dioxothiolan-3-yl)-methylamino]-N,N-dipropylpyridine-4-carboxamide

C17H27N3O3S — CID 109173463

IUPAC2-[(1,1-dioxothiolan-3-yl)-methylamino]-N,N-dipropylpyridine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1ccnc(N(C)C2CCS(=O)(=O)C2)c1
InChIInChI=1S/C17H27N3O3S/c1-4-9-20(10-5-2)17(21)14-6-8-18-16(12-14)19(3)15-7-11-24(22,23)13-15/h6,8,12,15H,4-5,7,9-11,13H2,1-3H3
InChIKeyCHDTVDJSAMLSPT-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.97
Rot. Bonds7

About 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N,N-dipropylpyridine-4-carboxamide

2-[(1,1-dioxothiolan-3-yl)-methylamino]-N,N-dipropylpyridine-4-carboxamide (PubChem CID 109173463) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N,N-dipropylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)-methylamino]-N,N-dipropylpyridine-4-carboxamide
PubChem CID109173463
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name2-[(1,1-dioxothiolan-3-yl)-methylamino]-N,N-dipropylpyridine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1ccnc(N(C)C2CCS(=O)(=O)C2)c1
InChIInChI=1S/C17H27N3O3S/c1-4-9-20(10-5-2)17(21)14-6-8-18-16(12-14)19(3)15-7-11-24(22,23)13-15/h6,8,12,15H,4-5,7,9-11,13H2,1-3H3
InChIKeyCHDTVDJSAMLSPT-UHFFFAOYSA-N
XLogP1.97
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[butyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-4-carboxamide
CID 109174101
1-[4-[2-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169034
azepan-1-yl-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-pyridinyl]methanone
CID 109173464
N-(1,1-dioxothiolan-3-yl)-2-(N-ethylanilino)-N-methylpyridine-4-carboxamide
CID 109173420
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-ethoxyphenyl)pyridine-4-carboxamide
CID 109173497
3-N-(1,1-dioxothiolan-3-yl)-3-N-methyl-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109106538
2-[(1,1-dioxothiolan-3-yl)-methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109331431
N-(3-chloro-2-methylphenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-4-carboxamide
CID 109173489
2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-4-carboxamide
CID 110853810
6-[(1,1-dioxothiolan-3-yl)-ethylamino]-N,N-dipropylpyrimidine-4-carboxamide
CID 109352646
N-butyl-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyrimidine-4-carboxamide
CID 109340046
2-N,2-N,4-N,4-N-tetrapropylpyridine-2,4-dicarboxamide
CID 109090449

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N,N-dipropylpyridine-4-carboxamide?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N,N-dipropylpyridine-4-carboxamide (CID 109173463) is 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N,N-dipropylpyridine-4-carboxamide.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N,N-dipropylpyridine-4-carboxamide?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N,N-dipropylpyridine-4-carboxamide is CCCN(CCC)C(=O)c1ccnc(N(C)C2CCS(=O)(=O)C2)c1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N,N-dipropylpyridine-4-carboxamide?
The InChIKey is CHDTVDJSAMLSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-4-9-20(10-5-2)17(21)14-6-8-18-16(12-14)19(3)15-7-11-24(22,23)13-15/h6,8,12,15H,4-5,7,9-11,13H2,1-3H3.
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N,N-dipropylpyridine-4-carboxamide?
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N,N-dipropylpyridine-4-carboxamide has a molecular weight of 353.49 g/mol, XLogP of 1.97, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N,N-dipropylpyridine-4-carboxamide is sourced from PubChem (CID 109173463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).