2-[[[2-[[(E)-2-(dimethylamino)ethenyl]-ethylamino]-2-oxoethyl]amino]methyl]-N-methyl-N-methylsulfonylpyridine-4-carboxamide

C17H27N5O4S — CID 126755551

IUPAC2-[[[2-[[(E)-2-(dimethylamino)ethenyl]-ethylamino]-2-oxoethyl]amino]methyl]-N-methyl-N-methylsulfonylpyridine-4-carboxamide
SMILESCCN(/C=C/N(C)C)C(=O)CNCc1cc(C(=O)N(C)S(C)(=O)=O)ccn1
InChIInChI=1S/C17H27N5O4S/c1-6-22(10-9-20(2)3)16(23)13-18-12-15-11-14(7-8-19-15)17(24)21(4)27(5,25)26/h7-11,18H,6,12-13H2,1-5H3/b10-9+
InChIKeyCXAMZCANSSMWMS-MDZDMXLPSA-N
MW397.50 g/mol
LogP0.08
Rot. Bonds9

About 2-[[[2-[[(E)-2-(dimethylamino)ethenyl]-ethylamino]-2-oxoethyl]amino]methyl]-N-methyl-N-methylsulfonylpyridine-4-carboxamide

2-[[[2-[[(E)-2-(dimethylamino)ethenyl]-ethylamino]-2-oxoethyl]amino]methyl]-N-methyl-N-methylsulfonylpyridine-4-carboxamide (PubChem CID 126755551) has the molecular formula C17H27N5O4S and a molecular weight of 397.50 g/mol. Its IUPAC name is 2-[[[2-[[(E)-2-(dimethylamino)ethenyl]-ethylamino]-2-oxoethyl]amino]methyl]-N-methyl-N-methylsulfonylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[[[2-[[(E)-2-(dimethylamino)ethenyl]-ethylamino]-2-oxoethyl]amino]methyl]-N-methyl-N-methylsulfonylpyridine-4-carboxamide
PubChem CID126755551
Molecular FormulaC17H27N5O4S
Molecular Weight397.50 g/mol
Exact Mass397.18
IUPAC Name2-[[[2-[[(E)-2-(dimethylamino)ethenyl]-ethylamino]-2-oxoethyl]amino]methyl]-N-methyl-N-methylsulfonylpyridine-4-carboxamide
SMILESCCN(/C=C/N(C)C)C(=O)CNCc1cc(C(=O)N(C)S(C)(=O)=O)ccn1
InChIInChI=1S/C17H27N5O4S/c1-6-22(10-9-20(2)3)16(23)13-18-12-15-11-14(7-8-19-15)17(24)21(4)27(5,25)26/h7-11,18H,6,12-13H2,1-5H3/b10-9+
InChIKeyCXAMZCANSSMWMS-MDZDMXLPSA-N
XLogP0.08
TPSA102.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[[2-[[(E)-2-(dimethylamino)ethenyl]-ethylamino]-2-oxoethyl]amino]methyl]-N-methyl-N-methylsulfonylpyridine-4-carboxamide with MolForge

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Related Compounds

2-[[[2-[2-[butyl(methyl)amino]ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxylic acid
CID 177383169
N-(2,2-dimethylpropyl)-2-[(4-ethenyl-2-pyridinyl)methylamino]-N-ethylacetamide;ethane
CID 144690114
2-[[4-[1-(2,2-difluoroethoxy)ethenyl]-2-pyridinyl]methylamino]-N-[2-(dimethylamino)ethyl]-N-ethylacetamide
CID 126755698
ethyl N-[[4-(diethylcarbamoyl)-2-pyridinyl]methyl]carbamate
CID 112530525
2-(acetamidomethyl)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 112520173
N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-propylpyridine-4-carboxamide
CID 50980034
N-(1H-benzimidazol-4-yl)-2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxamide
CID 146374973
[2,4-di(propan-2-yloxy)phenyl] 2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxylate
CID 146374976
N-[2-(dimethylamino)ethyl]-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide
CID 112520177
2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 84676605
2-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]pyridine-4-carboxylic acid
CID 114325323
2-[(dimethylcarbamoylamino)methyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide
CID 112522300

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-[[(E)-2-(dimethylamino)ethenyl]-ethylamino]-2-oxoethyl]amino]methyl]-N-methyl-N-methylsulfonylpyridine-4-carboxamide?
The IUPAC name of 2-[[[2-[[(E)-2-(dimethylamino)ethenyl]-ethylamino]-2-oxoethyl]amino]methyl]-N-methyl-N-methylsulfonylpyridine-4-carboxamide (CID 126755551) is 2-[[[2-[[(E)-2-(dimethylamino)ethenyl]-ethylamino]-2-oxoethyl]amino]methyl]-N-methyl-N-methylsulfonylpyridine-4-carboxamide.
What is the SMILES notation for 2-[[[2-[[(E)-2-(dimethylamino)ethenyl]-ethylamino]-2-oxoethyl]amino]methyl]-N-methyl-N-methylsulfonylpyridine-4-carboxamide?
The canonical SMILES for 2-[[[2-[[(E)-2-(dimethylamino)ethenyl]-ethylamino]-2-oxoethyl]amino]methyl]-N-methyl-N-methylsulfonylpyridine-4-carboxamide is CCN(/C=C/N(C)C)C(=O)CNCc1cc(C(=O)N(C)S(C)(=O)=O)ccn1.
What is the InChIKey of 2-[[[2-[[(E)-2-(dimethylamino)ethenyl]-ethylamino]-2-oxoethyl]amino]methyl]-N-methyl-N-methylsulfonylpyridine-4-carboxamide?
The InChIKey is CXAMZCANSSMWMS-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H27N5O4S/c1-6-22(10-9-20(2)3)16(23)13-18-12-15-11-14(7-8-19-15)17(24)21(4)27(5,25)26/h7-11,18H,6,12-13H2,1-5H3/b10-9+.
What are the key properties of 2-[[[2-[[(E)-2-(dimethylamino)ethenyl]-ethylamino]-2-oxoethyl]amino]methyl]-N-methyl-N-methylsulfonylpyridine-4-carboxamide?
2-[[[2-[[(E)-2-(dimethylamino)ethenyl]-ethylamino]-2-oxoethyl]amino]methyl]-N-methyl-N-methylsulfonylpyridine-4-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 0.08, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-[[(E)-2-(dimethylamino)ethenyl]-ethylamino]-2-oxoethyl]amino]methyl]-N-methyl-N-methylsulfonylpyridine-4-carboxamide is sourced from PubChem (CID 126755551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).