N-[3-(2-aminoethylsulfamoyl)phenyl]-6-(dimethylamino)pyridine-3-carboxamide

C16H21N5O3S — CID 119465589

IUPACN-[3-(2-aminoethylsulfamoyl)phenyl]-6-(dimethylamino)pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)Nc2cccc(S(=O)(=O)NCCN)c2)cn1
InChIInChI=1S/C16H21N5O3S/c1-21(2)15-7-6-12(11-18-15)16(22)20-13-4-3-5-14(10-13)25(23,24)19-9-8-17/h3-7,10-11,19H,8-9,17H2,1-2H3,(H,20,22)
InChIKeyVDZNZIGHWPTCJO-UHFFFAOYSA-N
MW363.44 g/mol
LogP0.64
Rot. Bonds7

About N-[3-(2-aminoethylsulfamoyl)phenyl]-6-(dimethylamino)pyridine-3-carboxamide

N-[3-(2-aminoethylsulfamoyl)phenyl]-6-(dimethylamino)pyridine-3-carboxamide (PubChem CID 119465589) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[3-(2-aminoethylsulfamoyl)phenyl]-6-(dimethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-aminoethylsulfamoyl)phenyl]-6-(dimethylamino)pyridine-3-carboxamide
PubChem CID119465589
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC NameN-[3-(2-aminoethylsulfamoyl)phenyl]-6-(dimethylamino)pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)Nc2cccc(S(=O)(=O)NCCN)c2)cn1
InChIInChI=1S/C16H21N5O3S/c1-21(2)15-7-6-12(11-18-15)16(22)20-13-4-3-5-14(10-13)25(23,24)19-9-8-17/h3-7,10-11,19H,8-9,17H2,1-2H3,(H,20,22)
InChIKeyVDZNZIGHWPTCJO-UHFFFAOYSA-N
XLogP0.64
TPSA117.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-aminoethylsulfamoyl)phenyl]-4-(ethylsulfanylmethyl)benzamide
CID 119465571
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-propoxybenzamide;hydrochloride
CID 119465892
N-[3-(2-aminoethylsulfamoyl)phenyl]-4-tert-butyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119465520
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 119465555
N-[3-(2-aminoethylsulfamoyl)phenyl]-3,4-dimethylpentanamide;hydrochloride
CID 119466058
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxypropanamide
CID 119466051
3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride
CID 119960312
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methoxy-5-methylthiophene-2-carboxamide
CID 119465959
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethoxypropanamide
CID 119465913
N'-[3-(2-aminoethylsulfamoyl)phenyl]-N-ethylpentanediamide
CID 119465943
N-[3-(2-aminoethylsulfamoyl)phenyl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide;hydrochloride
CID 119465978
6-(dimethylamino)-N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]pyridine-3-carboxamide
CID 86812770

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-6-(dimethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-6-(dimethylamino)pyridine-3-carboxamide (CID 119465589) is N-[3-(2-aminoethylsulfamoyl)phenyl]-6-(dimethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(2-aminoethylsulfamoyl)phenyl]-6-(dimethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(2-aminoethylsulfamoyl)phenyl]-6-(dimethylamino)pyridine-3-carboxamide is CN(C)c1ccc(C(=O)Nc2cccc(S(=O)(=O)NCCN)c2)cn1.
What is the InChIKey of N-[3-(2-aminoethylsulfamoyl)phenyl]-6-(dimethylamino)pyridine-3-carboxamide?
The InChIKey is VDZNZIGHWPTCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3S/c1-21(2)15-7-6-12(11-18-15)16(22)20-13-4-3-5-14(10-13)25(23,24)19-9-8-17/h3-7,10-11,19H,8-9,17H2,1-2H3,(H,20,22).
What are the key properties of N-[3-(2-aminoethylsulfamoyl)phenyl]-6-(dimethylamino)pyridine-3-carboxamide?
N-[3-(2-aminoethylsulfamoyl)phenyl]-6-(dimethylamino)pyridine-3-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 0.64, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethylsulfamoyl)phenyl]-6-(dimethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 119465589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).