N-pentylsulfonyl-1H-imidazo[4,5-b]pyridine-5-carboxamide

C12H16N4O3S — CID 141006982

IUPACN-pentylsulfonyl-1H-imidazo[4,5-b]pyridine-5-carboxamide
SMILESCCCCCS(=O)(=O)NC(=O)c1ccc2[nH]cnc2n1
InChIInChI=1S/C12H16N4O3S/c1-2-3-4-7-20(18,19)16-12(17)10-6-5-9-11(15-10)14-8-13-9/h5-6,8H,2-4,7H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyHVYQHSPNKVTSCJ-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.21
Rot. Bonds6

About N-pentylsulfonyl-1H-imidazo[4,5-b]pyridine-5-carboxamide

N-pentylsulfonyl-1H-imidazo[4,5-b]pyridine-5-carboxamide (PubChem CID 141006982) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-pentylsulfonyl-1H-imidazo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-pentylsulfonyl-1H-imidazo[4,5-b]pyridine-5-carboxamide
PubChem CID141006982
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC NameN-pentylsulfonyl-1H-imidazo[4,5-b]pyridine-5-carboxamide
SMILESCCCCCS(=O)(=O)NC(=O)c1ccc2[nH]cnc2n1
InChIInChI=1S/C12H16N4O3S/c1-2-3-4-7-20(18,19)16-12(17)10-6-5-9-11(15-10)14-8-13-9/h5-6,8H,2-4,7H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyHVYQHSPNKVTSCJ-UHFFFAOYSA-N
XLogP1.21
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N-pentylsulfonyl-1H-imidazo[4,5-b]pyridine-5-carboxamide?
The IUPAC name of N-pentylsulfonyl-1H-imidazo[4,5-b]pyridine-5-carboxamide (CID 141006982) is N-pentylsulfonyl-1H-imidazo[4,5-b]pyridine-5-carboxamide.
What is the SMILES notation for N-pentylsulfonyl-1H-imidazo[4,5-b]pyridine-5-carboxamide?
The canonical SMILES for N-pentylsulfonyl-1H-imidazo[4,5-b]pyridine-5-carboxamide is CCCCCS(=O)(=O)NC(=O)c1ccc2[nH]cnc2n1.
What is the InChIKey of N-pentylsulfonyl-1H-imidazo[4,5-b]pyridine-5-carboxamide?
The InChIKey is HVYQHSPNKVTSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-2-3-4-7-20(18,19)16-12(17)10-6-5-9-11(15-10)14-8-13-9/h5-6,8H,2-4,7H2,1H3,(H,16,17)(H,13,14,15).
What are the key properties of N-pentylsulfonyl-1H-imidazo[4,5-b]pyridine-5-carboxamide?
N-pentylsulfonyl-1H-imidazo[4,5-b]pyridine-5-carboxamide has a molecular weight of 296.35 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentylsulfonyl-1H-imidazo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 141006982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).