N-[5-[(1-cyanopyrrolidin-3-yl)sulfamoyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide

C15H17N7O3S — CID 137352960

IUPACN-[5-[(1-cyanopyrrolidin-3-yl)sulfamoyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C#N)C2)cn1
InChIInChI=1S/C15H17N7O3S/c1-21-13(4-6-18-21)15(23)19-14-3-2-12(8-17-14)26(24,25)20-11-5-7-22(9-11)10-16/h2-4,6,8,11,20H,5,7,9H2,1H3,(H,17,19,23)
InChIKeyOFYYIEBCBXHERS-UHFFFAOYSA-N
MW375.41 g/mol
LogP-0.10
Rot. Bonds5

About N-[5-[(1-cyanopyrrolidin-3-yl)sulfamoyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide

N-[5-[(1-cyanopyrrolidin-3-yl)sulfamoyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide (PubChem CID 137352960) has the molecular formula C15H17N7O3S and a molecular weight of 375.41 g/mol. Its IUPAC name is N-[5-[(1-cyanopyrrolidin-3-yl)sulfamoyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(1-cyanopyrrolidin-3-yl)sulfamoyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide
PubChem CID137352960
Molecular FormulaC15H17N7O3S
Molecular Weight375.41 g/mol
Exact Mass375.11
IUPAC NameN-[5-[(1-cyanopyrrolidin-3-yl)sulfamoyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C#N)C2)cn1
InChIInChI=1S/C15H17N7O3S/c1-21-13(4-6-18-21)15(23)19-14-3-2-12(8-17-14)26(24,25)20-11-5-7-22(9-11)10-16/h2-4,6,8,11,20H,5,7,9H2,1H3,(H,17,19,23)
InChIKeyOFYYIEBCBXHERS-UHFFFAOYSA-N
XLogP-0.10
TPSA133.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(1-cyanopyrrolidin-3-yl)sulfamoyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[5-[(1-cyanopyrrolidin-3-yl)sulfamoyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide (CID 137352960) is N-[5-[(1-cyanopyrrolidin-3-yl)sulfamoyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[5-[(1-cyanopyrrolidin-3-yl)sulfamoyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[5-[(1-cyanopyrrolidin-3-yl)sulfamoyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C#N)C2)cn1.
What is the InChIKey of N-[5-[(1-cyanopyrrolidin-3-yl)sulfamoyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is OFYYIEBCBXHERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O3S/c1-21-13(4-6-18-21)15(23)19-14-3-2-12(8-17-14)26(24,25)20-11-5-7-22(9-11)10-16/h2-4,6,8,11,20H,5,7,9H2,1H3,(H,17,19,23).
What are the key properties of N-[5-[(1-cyanopyrrolidin-3-yl)sulfamoyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide?
N-[5-[(1-cyanopyrrolidin-3-yl)sulfamoyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 375.41 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1-cyanopyrrolidin-3-yl)sulfamoyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 137352960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).