2-amino-N-(2-aminoethyl)-5-[4-(2-aminoethylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxamide

C17H22N10O5S2 — CID 135149712

IUPAC2-amino-N-(2-aminoethyl)-5-[4-(2-aminoethylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxamide
SMILESNCCNC(=O)c1cc(-c2ccc(S(=O)(=O)CCN)c(S(N)(=O)=O)c2-c2nn[nH]n2)cnc1N
InChIInChI=1S/C17H22N10O5S2/c18-3-5-22-17(28)11-7-9(8-23-15(11)20)10-1-2-12(33(29,30)6-4-19)14(34(21,31)32)13(10)16-24-26-27-25-16/h1-2,7-8H,3-6,18-19H2,(H2,20,23)(H,22,28)(H2,21,31,32)(H,24,25,26,27)
InChIKeySIBZBMBDSYIQCH-UHFFFAOYSA-N
MW510.56 g/mol
LogP-2.42
Rot. Bonds9

About 2-amino-N-(2-aminoethyl)-5-[4-(2-aminoethylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxamide

2-amino-N-(2-aminoethyl)-5-[4-(2-aminoethylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxamide (PubChem CID 135149712) has the molecular formula C17H22N10O5S2 and a molecular weight of 510.56 g/mol. Its IUPAC name is 2-amino-N-(2-aminoethyl)-5-[4-(2-aminoethylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-aminoethyl)-5-[4-(2-aminoethylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxamide
PubChem CID135149712
Molecular FormulaC17H22N10O5S2
Molecular Weight510.56 g/mol
Exact Mass510.12
IUPAC Name2-amino-N-(2-aminoethyl)-5-[4-(2-aminoethylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxamide
SMILESNCCNC(=O)c1cc(-c2ccc(S(=O)(=O)CCN)c(S(N)(=O)=O)c2-c2nn[nH]n2)cnc1N
InChIInChI=1S/C17H22N10O5S2/c18-3-5-22-17(28)11-7-9(8-23-15(11)20)10-1-2-12(33(29,30)6-4-19)14(34(21,31)32)13(10)16-24-26-27-25-16/h1-2,7-8H,3-6,18-19H2,(H2,20,23)(H,22,28)(H2,21,31,32)(H,24,25,26,27)
InChIKeySIBZBMBDSYIQCH-UHFFFAOYSA-N
XLogP-2.42
TPSA268.81 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500510.56
LogP ≤ 5-2.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

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Related Compounds

6-(2-aminoethylsulfonyl)-3-(2-oxo-1H-pyrimidin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 135149948
2-amino-N-[3-[4-(2-aminoethylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]acetamide
CID 135150032
6-(2-aminoethylsulfonyl)-3-[6-(3-isocyanoazetidin-3-yl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 140880924
6-(2-aminoethylsulfonyl)-3-(3-oxo-1,2-dihydroisoindol-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 135150185
6-(2-aminoethylsulfonyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 135150221
4-[2-(2-aminoethylamino)-4-pyridinyl]-1-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
CID 135311300
6-(2-aminoethylsulfinyl)-3-(6-amino-5-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 145220062
6-[(2S)-3-amino-2-hydroxypropyl]sulfonyl-3-[3-(2-amino-1H-imidazol-5-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 135150135
2-[4-[5-(hydroxymethyl)-3-pyridinyl]-2-sulfamoyl-3-(2H-tetrazol-5-yl)phenyl]sulfonylethylazanium;2,2,2-trifluoroacetate
CID 135150290
2-amino-3-[4-[4-(2-aminoethylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazol-2-yl]propanoic acid
CID 135149889
(2R)-2-amino-N-[3-[4-(2-aminoethylsulfamoyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]-3-hydroxypropanamide
CID 135311893
3-[5-(aminomethyl)-3-pyridinyl]-6-(azetidin-3-ylsulfonyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 171923345

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-aminoethyl)-5-[4-(2-aminoethylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(2-aminoethyl)-5-[4-(2-aminoethylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxamide (CID 135149712) is 2-amino-N-(2-aminoethyl)-5-[4-(2-aminoethylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(2-aminoethyl)-5-[4-(2-aminoethylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(2-aminoethyl)-5-[4-(2-aminoethylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxamide is NCCNC(=O)c1cc(-c2ccc(S(=O)(=O)CCN)c(S(N)(=O)=O)c2-c2nn[nH]n2)cnc1N.
What is the InChIKey of 2-amino-N-(2-aminoethyl)-5-[4-(2-aminoethylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is SIBZBMBDSYIQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N10O5S2/c18-3-5-22-17(28)11-7-9(8-23-15(11)20)10-1-2-12(33(29,30)6-4-19)14(34(21,31)32)13(10)16-24-26-27-25-16/h1-2,7-8H,3-6,18-19H2,(H2,20,23)(H,22,28)(H2,21,31,32)(H,24,25,26,27).
What are the key properties of 2-amino-N-(2-aminoethyl)-5-[4-(2-aminoethylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxamide?
2-amino-N-(2-aminoethyl)-5-[4-(2-aminoethylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 510.56 g/mol, XLogP of -2.42, 9 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-aminoethyl)-5-[4-(2-aminoethylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 135149712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).