N-(2-imidazol-1-ylethyl)-2-(propylamino)pyridine-4-sulfonamide

C13H19N5O2S — CID 62151053

IUPACN-(2-imidazol-1-ylethyl)-2-(propylamino)pyridine-4-sulfonamide
SMILESCCCNc1cc(S(=O)(=O)NCCn2ccnc2)ccn1
InChIInChI=1S/C13H19N5O2S/c1-2-4-15-13-10-12(3-5-16-13)21(19,20)17-7-9-18-8-6-14-11-18/h3,5-6,8,10-11,17H,2,4,7,9H2,1H3,(H,15,16)
InChIKeyKVVXGERPSXTTBR-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.08
Rot. Bonds8

About N-(2-imidazol-1-ylethyl)-2-(propylamino)pyridine-4-sulfonamide

N-(2-imidazol-1-ylethyl)-2-(propylamino)pyridine-4-sulfonamide (PubChem CID 62151053) has the molecular formula C13H19N5O2S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-2-(propylamino)pyridine-4-sulfonamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-2-(propylamino)pyridine-4-sulfonamide
PubChem CID62151053
Molecular FormulaC13H19N5O2S
Molecular Weight309.39 g/mol
Exact Mass309.13
IUPAC NameN-(2-imidazol-1-ylethyl)-2-(propylamino)pyridine-4-sulfonamide
SMILESCCCNc1cc(S(=O)(=O)NCCn2ccnc2)ccn1
InChIInChI=1S/C13H19N5O2S/c1-2-4-15-13-10-12(3-5-16-13)21(19,20)17-7-9-18-8-6-14-11-18/h3,5-6,8,10-11,17H,2,4,7,9H2,1H3,(H,15,16)
InChIKeyKVVXGERPSXTTBR-UHFFFAOYSA-N
XLogP1.08
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-imidazol-1-ylethyl)-2-(propylamino)benzenesulfonamide
CID 62153349
2-(propylamino)-N-(pyridin-4-ylmethyl)pyridine-4-sulfonamide
CID 62148405
3-(aminomethyl)-4-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 106018089
N-[4-(dimethylamino)butyl]-2-(propylamino)pyridine-4-sulfonamide
CID 62159155
2-(propylamino)-N-pyrimidin-5-ylpyridine-4-sulfonamide
CID 107589827
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)pyridine-4-sulfonamide
CID 106407859
N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-sulfonamide
CID 62146336
4-amino-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 61324479
4-fluoro-N-(2-imidazol-1-ylethyl)-3-methoxybenzenesulfonamide
CID 86818502
3-amino-N-(2-imidazol-1-ylethyl)-4-methoxybenzenesulfonamide
CID 61325505
N-(2-imidazol-1-ylethyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106018145
4-N-(2-imidazol-1-ylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80809698

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-2-(propylamino)pyridine-4-sulfonamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-2-(propylamino)pyridine-4-sulfonamide (CID 62151053) is N-(2-imidazol-1-ylethyl)-2-(propylamino)pyridine-4-sulfonamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-2-(propylamino)pyridine-4-sulfonamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-2-(propylamino)pyridine-4-sulfonamide is CCCNc1cc(S(=O)(=O)NCCn2ccnc2)ccn1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-2-(propylamino)pyridine-4-sulfonamide?
The InChIKey is KVVXGERPSXTTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-2-4-15-13-10-12(3-5-16-13)21(19,20)17-7-9-18-8-6-14-11-18/h3,5-6,8,10-11,17H,2,4,7,9H2,1H3,(H,15,16).
What are the key properties of N-(2-imidazol-1-ylethyl)-2-(propylamino)pyridine-4-sulfonamide?
N-(2-imidazol-1-ylethyl)-2-(propylamino)pyridine-4-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-2-(propylamino)pyridine-4-sulfonamide is sourced from PubChem (CID 62151053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).