5-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-ethyl-N-phenylpyridine-2-carboxamide

C20H25N3O3S — CID 109194030

IUPAC5-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-ethyl-N-phenylpyridine-2-carboxamide
SMILESCCN(C(=O)c1ccc(N(CC)C2CCS(=O)(=O)C2)cn1)c1ccccc1
InChIInChI=1S/C20H25N3O3S/c1-3-22(18-12-13-27(25,26)15-18)17-10-11-19(21-14-17)20(24)23(4-2)16-8-6-5-7-9-16/h5-11,14,18H,3-4,12-13,15H2,1-2H3
InChIKeyRRENOMIVQFTOHW-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.76
Rot. Bonds6

About 5-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-ethyl-N-phenylpyridine-2-carboxamide

5-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-ethyl-N-phenylpyridine-2-carboxamide (PubChem CID 109194030) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 5-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-ethyl-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-ethyl-N-phenylpyridine-2-carboxamide
PubChem CID109194030
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name5-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-ethyl-N-phenylpyridine-2-carboxamide
SMILESCCN(C(=O)c1ccc(N(CC)C2CCS(=O)(=O)C2)cn1)c1ccccc1
InChIInChI=1S/C20H25N3O3S/c1-3-22(18-12-13-27(25,26)15-18)17-10-11-19(21-14-17)20(24)23(4-2)16-8-6-5-7-9-16/h5-11,14,18H,3-4,12-13,15H2,1-2H3
InChIKeyRRENOMIVQFTOHW-UHFFFAOYSA-N
XLogP2.76
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]benzamide
CID 113029205
5-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide
CID 109189241
6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109372528
N-(4-cyanophenyl)-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-2-carboxamide
CID 109194044
5-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
CID 109189235
1-cyclopropyl-3-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]urea
CID 113029223
6-[(1,1-dioxothiolan-3-yl)amino]-N-ethyl-N-phenylpyridazine-3-carboxamide
CID 109122781
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109309347
N-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]-3-methoxybenzamide
CID 113029197
6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109351952
N-[4-(aminomethyl)phenyl]-N-ethyl-1,1-dioxothiolan-3-amine
CID 54914556
3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-ethyl-N-phenylpropanamide
CID 113121660

Frequently Asked Questions

What is the IUPAC name of 5-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-ethyl-N-phenylpyridine-2-carboxamide?
The IUPAC name of 5-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-ethyl-N-phenylpyridine-2-carboxamide (CID 109194030) is 5-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-ethyl-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for 5-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-ethyl-N-phenylpyridine-2-carboxamide?
The canonical SMILES for 5-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-ethyl-N-phenylpyridine-2-carboxamide is CCN(C(=O)c1ccc(N(CC)C2CCS(=O)(=O)C2)cn1)c1ccccc1.
What is the InChIKey of 5-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-ethyl-N-phenylpyridine-2-carboxamide?
The InChIKey is RRENOMIVQFTOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-3-22(18-12-13-27(25,26)15-18)17-10-11-19(21-14-17)20(24)23(4-2)16-8-6-5-7-9-16/h5-11,14,18H,3-4,12-13,15H2,1-2H3.
What are the key properties of 5-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-ethyl-N-phenylpyridine-2-carboxamide?
5-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-ethyl-N-phenylpyridine-2-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-ethyl-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 109194030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).