1-[3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]propanoyl]piperidine-4-carboxamide

C14H20BrN5O4S — CID 24791905

IUPAC1-[3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]propanoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)CC1
InChIInChI=1S/C14H20BrN5O4S/c15-10-7-11(13(16)18-8-10)25(23,24)19-4-1-12(21)20-5-2-9(3-6-20)14(17)22/h7-9,19H,1-6H2,(H2,16,18)(H2,17,22)
InChIKeyTYSJBLSCLAYWLW-UHFFFAOYSA-N
MW434.32 g/mol
LogP-0.18
Rot. Bonds6

About 1-[3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]propanoyl]piperidine-4-carboxamide

1-[3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]propanoyl]piperidine-4-carboxamide (PubChem CID 24791905) has the molecular formula C14H20BrN5O4S and a molecular weight of 434.32 g/mol. Its IUPAC name is 1-[3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]propanoyl]piperidine-4-carboxamide
PubChem CID24791905
Molecular FormulaC14H20BrN5O4S
Molecular Weight434.32 g/mol
Exact Mass433.04
IUPAC Name1-[3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]propanoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)CC1
InChIInChI=1S/C14H20BrN5O4S/c15-10-7-11(13(16)18-8-10)25(23,24)19-4-1-12(21)20-5-2-9(3-6-20)14(17)22/h7-9,19H,1-6H2,(H2,16,18)(H2,17,22)
InChIKeyTYSJBLSCLAYWLW-UHFFFAOYSA-N
XLogP-0.18
TPSA148.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.32
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]propanoyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]propanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]propanoyl]piperidine-4-carboxamide (CID 24791905) is 1-[3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]propanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]propanoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)CC1.
What is the InChIKey of 1-[3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]propanoyl]piperidine-4-carboxamide?
The InChIKey is TYSJBLSCLAYWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN5O4S/c15-10-7-11(13(16)18-8-10)25(23,24)19-4-1-12(21)20-5-2-9(3-6-20)14(17)22/h7-9,19H,1-6H2,(H2,16,18)(H2,17,22).
What are the key properties of 1-[3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]propanoyl]piperidine-4-carboxamide?
1-[3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]propanoyl]piperidine-4-carboxamide has a molecular weight of 434.32 g/mol, XLogP of -0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 24791905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).