N-[[5-(oxan-4-ylsulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

C19H20N4O4S — CID 118193532

IUPACN-[[5-(oxan-4-ylsulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)C2CCOCC2)cn1)c1ccc2nccn2c1
InChIInChI=1S/C19H20N4O4S/c24-19(14-1-4-18-20-7-8-23(18)13-14)22-11-15-2-3-17(12-21-15)28(25,26)16-5-9-27-10-6-16/h1-4,7-8,12-13,16H,5-6,9-11H2,(H,22,24)
InChIKeyKTXRWEILRHBJAS-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.61
Rot. Bonds5

About N-[[5-(oxan-4-ylsulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[[5-(oxan-4-ylsulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118193532) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[[5-(oxan-4-ylsulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[5-(oxan-4-ylsulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID118193532
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC NameN-[[5-(oxan-4-ylsulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)C2CCOCC2)cn1)c1ccc2nccn2c1
InChIInChI=1S/C19H20N4O4S/c24-19(14-1-4-18-20-7-8-23(18)13-14)22-11-15-2-3-17(12-21-15)28(25,26)16-5-9-27-10-6-16/h1-4,7-8,12-13,16H,5-6,9-11H2,(H,22,24)
InChIKeyKTXRWEILRHBJAS-UHFFFAOYSA-N
XLogP1.61
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(oxan-4-ylsulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[[5-(oxan-4-ylsulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 118193532) is N-[[5-(oxan-4-ylsulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[5-(oxan-4-ylsulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[5-(oxan-4-ylsulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is O=C(NCc1ccc(S(=O)(=O)C2CCOCC2)cn1)c1ccc2nccn2c1.
What is the InChIKey of N-[[5-(oxan-4-ylsulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is KTXRWEILRHBJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c24-19(14-1-4-18-20-7-8-23(18)13-14)22-11-15-2-3-17(12-21-15)28(25,26)16-5-9-27-10-6-16/h1-4,7-8,12-13,16H,5-6,9-11H2,(H,22,24).
What are the key properties of N-[[5-(oxan-4-ylsulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[[5-(oxan-4-ylsulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(oxan-4-ylsulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118193532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).