4-[[2-(dimethylamino)-3-pyridinyl]methylamino]-N-[dimethyl(oxo)-λ6-sulfanylidene]benzamide

C17H22N4O2S — CID 136573844

IUPAC4-[[2-(dimethylamino)-3-pyridinyl]methylamino]-N-[dimethyl(oxo)-λ6-sulfanylidene]benzamide
SMILESCN(C)c1ncccc1CNc1ccc(C(=O)N=S(C)(C)=O)cc1
InChIInChI=1S/C17H22N4O2S/c1-21(2)16-14(6-5-11-18-16)12-19-15-9-7-13(8-10-15)17(22)20-24(3,4)23/h5-11,19H,12H2,1-4H3
InChIKeyILSOQSRKRBOBPM-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.63
Rot. Bonds5

About 4-[[2-(dimethylamino)-3-pyridinyl]methylamino]-N-[dimethyl(oxo)-λ6-sulfanylidene]benzamide

4-[[2-(dimethylamino)-3-pyridinyl]methylamino]-N-[dimethyl(oxo)-λ6-sulfanylidene]benzamide (PubChem CID 136573844) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)-3-pyridinyl]methylamino]-N-[dimethyl(oxo)-λ6-sulfanylidene]benzamide.

Molecular Properties

Compound Name4-[[2-(dimethylamino)-3-pyridinyl]methylamino]-N-[dimethyl(oxo)-λ6-sulfanylidene]benzamide
PubChem CID136573844
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name4-[[2-(dimethylamino)-3-pyridinyl]methylamino]-N-[dimethyl(oxo)-λ6-sulfanylidene]benzamide
SMILESCN(C)c1ncccc1CNc1ccc(C(=O)N=S(C)(C)=O)cc1
InChIInChI=1S/C17H22N4O2S/c1-21(2)16-14(6-5-11-18-16)12-19-15-9-7-13(8-10-15)17(22)20-24(3,4)23/h5-11,19H,12H2,1-4H3
InChIKeyILSOQSRKRBOBPM-UHFFFAOYSA-N
XLogP2.63
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-ethylsulfonylanilino)methyl]-N,N-dimethylpyridin-2-amine
CID 100663511
2-chloro-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide
CID 39660340
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 55692728
3-acetyl-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide
CID 39660374
4-(cyclopropylsulfamoyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzamide
CID 55692896
4-tert-butyl-N-[1-[[2-(dimethylamino)-3-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide
CID 46470503
3-[(2,2-dimethylpropylamino)methyl]-N,N-dimethylpyridin-2-amine
CID 115607162
(2S)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 94026231
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-methoxy-4-methylbenzamide
CID 42195214
4-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide
CID 119850383
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 46454558
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-9H-xanthene-9-carboxamide
CID 55692804

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)-3-pyridinyl]methylamino]-N-[dimethyl(oxo)-λ6-sulfanylidene]benzamide?
The IUPAC name of 4-[[2-(dimethylamino)-3-pyridinyl]methylamino]-N-[dimethyl(oxo)-λ6-sulfanylidene]benzamide (CID 136573844) is 4-[[2-(dimethylamino)-3-pyridinyl]methylamino]-N-[dimethyl(oxo)-λ6-sulfanylidene]benzamide.
What is the SMILES notation for 4-[[2-(dimethylamino)-3-pyridinyl]methylamino]-N-[dimethyl(oxo)-λ6-sulfanylidene]benzamide?
The canonical SMILES for 4-[[2-(dimethylamino)-3-pyridinyl]methylamino]-N-[dimethyl(oxo)-λ6-sulfanylidene]benzamide is CN(C)c1ncccc1CNc1ccc(C(=O)N=S(C)(C)=O)cc1.
What is the InChIKey of 4-[[2-(dimethylamino)-3-pyridinyl]methylamino]-N-[dimethyl(oxo)-λ6-sulfanylidene]benzamide?
The InChIKey is ILSOQSRKRBOBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-21(2)16-14(6-5-11-18-16)12-19-15-9-7-13(8-10-15)17(22)20-24(3,4)23/h5-11,19H,12H2,1-4H3.
What are the key properties of 4-[[2-(dimethylamino)-3-pyridinyl]methylamino]-N-[dimethyl(oxo)-λ6-sulfanylidene]benzamide?
4-[[2-(dimethylamino)-3-pyridinyl]methylamino]-N-[dimethyl(oxo)-λ6-sulfanylidene]benzamide has a molecular weight of 346.46 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)-3-pyridinyl]methylamino]-N-[dimethyl(oxo)-λ6-sulfanylidene]benzamide is sourced from PubChem (CID 136573844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).