3-amino-N-pyridin-3-yl-6-[4-(3-pyrrolidin-1-ylpropylsulfamoyl)phenyl]pyrazine-2-carboxamide

C23H27N7O3S — CID 10277570

IUPAC3-amino-N-pyridin-3-yl-6-[4-(3-pyrrolidin-1-ylpropylsulfamoyl)phenyl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc(S(=O)(=O)NCCCN3CCCC3)cc2)nc1C(=O)Nc1cccnc1
InChIInChI=1S/C23H27N7O3S/c24-22-21(23(31)28-18-5-3-10-25-15-18)29-20(16-26-22)17-6-8-19(9-7-17)34(32,33)27-11-4-14-30-12-1-2-13-30/h3,5-10,15-16,27H,1-2,4,11-14H2,(H2,24,26)(H,28,31)
InChIKeyLNNOPEHZSZMPMP-UHFFFAOYSA-N
MW481.58 g/mol
LogP2.14
Rot. Bonds9

About 3-amino-N-pyridin-3-yl-6-[4-(3-pyrrolidin-1-ylpropylsulfamoyl)phenyl]pyrazine-2-carboxamide

3-amino-N-pyridin-3-yl-6-[4-(3-pyrrolidin-1-ylpropylsulfamoyl)phenyl]pyrazine-2-carboxamide (PubChem CID 10277570) has the molecular formula C23H27N7O3S and a molecular weight of 481.58 g/mol. Its IUPAC name is 3-amino-N-pyridin-3-yl-6-[4-(3-pyrrolidin-1-ylpropylsulfamoyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-pyridin-3-yl-6-[4-(3-pyrrolidin-1-ylpropylsulfamoyl)phenyl]pyrazine-2-carboxamide
PubChem CID10277570
Molecular FormulaC23H27N7O3S
Molecular Weight481.58 g/mol
Exact Mass481.19
IUPAC Name3-amino-N-pyridin-3-yl-6-[4-(3-pyrrolidin-1-ylpropylsulfamoyl)phenyl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc(S(=O)(=O)NCCCN3CCCC3)cc2)nc1C(=O)Nc1cccnc1
InChIInChI=1S/C23H27N7O3S/c24-22-21(23(31)28-18-5-3-10-25-15-18)29-20(16-26-22)17-6-8-19(9-7-17)34(32,33)27-11-4-14-30-12-1-2-13-30/h3,5-10,15-16,27H,1-2,4,11-14H2,(H2,24,26)(H,28,31)
InChIKeyLNNOPEHZSZMPMP-UHFFFAOYSA-N
XLogP2.14
TPSA143.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-pyridin-3-yl-6-[4-(3-pyrrolidin-1-ylpropylsulfamoyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-pyridin-3-yl-6-[4-(3-pyrrolidin-1-ylpropylsulfamoyl)phenyl]pyrazine-2-carboxamide (CID 10277570) is 3-amino-N-pyridin-3-yl-6-[4-(3-pyrrolidin-1-ylpropylsulfamoyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-pyridin-3-yl-6-[4-(3-pyrrolidin-1-ylpropylsulfamoyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-pyridin-3-yl-6-[4-(3-pyrrolidin-1-ylpropylsulfamoyl)phenyl]pyrazine-2-carboxamide is Nc1ncc(-c2ccc(S(=O)(=O)NCCCN3CCCC3)cc2)nc1C(=O)Nc1cccnc1.
What is the InChIKey of 3-amino-N-pyridin-3-yl-6-[4-(3-pyrrolidin-1-ylpropylsulfamoyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is LNNOPEHZSZMPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O3S/c24-22-21(23(31)28-18-5-3-10-25-15-18)29-20(16-26-22)17-6-8-19(9-7-17)34(32,33)27-11-4-14-30-12-1-2-13-30/h3,5-10,15-16,27H,1-2,4,11-14H2,(H2,24,26)(H,28,31).
What are the key properties of 3-amino-N-pyridin-3-yl-6-[4-(3-pyrrolidin-1-ylpropylsulfamoyl)phenyl]pyrazine-2-carboxamide?
3-amino-N-pyridin-3-yl-6-[4-(3-pyrrolidin-1-ylpropylsulfamoyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 481.58 g/mol, XLogP of 2.14, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-pyridin-3-yl-6-[4-(3-pyrrolidin-1-ylpropylsulfamoyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 10277570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).