N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

C22H25N5O4S — CID 166748282

IUPACN-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCOc1ncc(NC(=O)c2cn3c(n2)CCCC3)cc1S(=O)(=O)Nc1c(C)cccc1C
InChIInChI=1S/C22H25N5O4S/c1-14-7-6-8-15(2)20(14)26-32(29,30)18-11-16(12-23-22(18)31-3)24-21(28)17-13-27-10-5-4-9-19(27)25-17/h6-8,11-13,26H,4-5,9-10H2,1-3H3,(H,24,28)
InChIKeyXKKYQBLBOQBSKF-UHFFFAOYSA-N
MW455.54 g/mol
LogP3.29
Rot. Bonds6

About N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 166748282) has the molecular formula C22H25N5O4S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID166748282
Molecular FormulaC22H25N5O4S
Molecular Weight455.54 g/mol
Exact Mass455.16
IUPAC NameN-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCOc1ncc(NC(=O)c2cn3c(n2)CCCC3)cc1S(=O)(=O)Nc1c(C)cccc1C
InChIInChI=1S/C22H25N5O4S/c1-14-7-6-8-15(2)20(14)26-32(29,30)18-11-16(12-23-22(18)31-3)24-21(28)17-13-27-10-5-4-9-19(27)25-17/h6-8,11-13,26H,4-5,9-10H2,1-3H3,(H,24,28)
InChIKeyXKKYQBLBOQBSKF-UHFFFAOYSA-N
XLogP3.29
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
CID 166752353
N-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 71838091
N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-1,5-dimethylpyrazole-3-carboxamide
CID 166752154
N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 166752176
N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5-methoxy-1-methylpyrazole-3-carboxamide
CID 166752227
N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 166752240
N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 166748291
5-(difluoromethyl)-N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-1-methylpyrazole-4-carboxamide
CID 166752375
N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 166752364
4-acetamido-N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-methylbenzamide
CID 166752447
N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carboxamide
CID 166748243
N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-1-methylindazole-3-carboxamide
CID 166748195

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (CID 166748282) is N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is COc1ncc(NC(=O)c2cn3c(n2)CCCC3)cc1S(=O)(=O)Nc1c(C)cccc1C.
What is the InChIKey of N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is XKKYQBLBOQBSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4S/c1-14-7-6-8-15(2)20(14)26-32(29,30)18-11-16(12-23-22(18)31-3)24-21(28)17-13-27-10-5-4-9-19(27)25-17/h6-8,11-13,26H,4-5,9-10H2,1-3H3,(H,24,28).
What are the key properties of N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 455.54 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 166748282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).