6-[2-amino-5-[4-(diethylsulfamoyl)phenyl]-3-pyridinyl]pyridine-3-carboxamide

C21H23N5O3S — CID 129202561

IUPAC6-[2-amino-5-[4-(diethylsulfamoyl)phenyl]-3-pyridinyl]pyridine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(N)=O)cn3)c2)cc1
InChIInChI=1S/C21H23N5O3S/c1-3-26(4-2)30(28,29)17-8-5-14(6-9-17)16-11-18(20(22)25-13-16)19-10-7-15(12-24-19)21(23)27/h5-13H,3-4H2,1-2H3,(H2,22,25)(H2,23,27)
InChIKeyGEFPLOCUJFHQAJ-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.52
Rot. Bonds7

About 6-[2-amino-5-[4-(diethylsulfamoyl)phenyl]-3-pyridinyl]pyridine-3-carboxamide

6-[2-amino-5-[4-(diethylsulfamoyl)phenyl]-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 129202561) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is 6-[2-amino-5-[4-(diethylsulfamoyl)phenyl]-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-amino-5-[4-(diethylsulfamoyl)phenyl]-3-pyridinyl]pyridine-3-carboxamide
PubChem CID129202561
Molecular FormulaC21H23N5O3S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC Name6-[2-amino-5-[4-(diethylsulfamoyl)phenyl]-3-pyridinyl]pyridine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(N)=O)cn3)c2)cc1
InChIInChI=1S/C21H23N5O3S/c1-3-26(4-2)30(28,29)17-8-5-14(6-9-17)16-11-18(20(22)25-13-16)19-10-7-15(12-24-19)21(23)27/h5-13H,3-4H2,1-2H3,(H2,22,25)(H2,23,27)
InChIKeyGEFPLOCUJFHQAJ-UHFFFAOYSA-N
XLogP2.52
TPSA132.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-amino-5-[4-(diethylsulfamoyl)phenyl]-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 6-[2-amino-5-[4-(diethylsulfamoyl)phenyl]-3-pyridinyl]pyridine-3-carboxamide (CID 129202561) is 6-[2-amino-5-[4-(diethylsulfamoyl)phenyl]-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-amino-5-[4-(diethylsulfamoyl)phenyl]-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-amino-5-[4-(diethylsulfamoyl)phenyl]-3-pyridinyl]pyridine-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(N)=O)cn3)c2)cc1.
What is the InChIKey of 6-[2-amino-5-[4-(diethylsulfamoyl)phenyl]-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is GEFPLOCUJFHQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S/c1-3-26(4-2)30(28,29)17-8-5-14(6-9-17)16-11-18(20(22)25-13-16)19-10-7-15(12-24-19)21(23)27/h5-13H,3-4H2,1-2H3,(H2,22,25)(H2,23,27).
What are the key properties of 6-[2-amino-5-[4-(diethylsulfamoyl)phenyl]-3-pyridinyl]pyridine-3-carboxamide?
6-[2-amino-5-[4-(diethylsulfamoyl)phenyl]-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-amino-5-[4-(diethylsulfamoyl)phenyl]-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 129202561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).