N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

C20H16N4O3S — CID 71726494

IUPACN-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccccc2)cn1)c1ccc2nccn2c1
InChIInChI=1S/C20H16N4O3S/c25-20(15-6-9-19-21-10-11-24(19)14-15)23-12-16-7-8-18(13-22-16)28(26,27)17-4-2-1-3-5-17/h1-11,13-14H,12H2,(H,23,25)
InChIKeyAQEWGVHIHMDDSF-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.49
Rot. Bonds5

About N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 71726494) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID71726494
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC NameN-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccccc2)cn1)c1ccc2nccn2c1
InChIInChI=1S/C20H16N4O3S/c25-20(15-6-9-19-21-10-11-24(19)14-15)23-12-16-7-8-18(13-22-16)28(26,27)17-4-2-1-3-5-17/h1-11,13-14H,12H2,(H,23,25)
InChIKeyAQEWGVHIHMDDSF-UHFFFAOYSA-N
XLogP2.49
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 71726494) is N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cn1)c1ccc2nccn2c1.
What is the InChIKey of N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is AQEWGVHIHMDDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S/c25-20(15-6-9-19-21-10-11-24(19)14-15)23-12-16-7-8-18(13-22-16)28(26,27)17-4-2-1-3-5-17/h1-11,13-14H,12H2,(H,23,25).
What are the key properties of N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 392.44 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 71726494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).