N-[2-(2-methylsulfonylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide

C17H21N3O3S — CID 136565833

IUPACN-[2-(2-methylsulfonylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
SMILESCS(=O)(=O)c1ccccc1CCNC(=O)C1CCn2ccnc2C1
InChIInChI=1S/C17H21N3O3S/c1-24(22,23)15-5-3-2-4-13(15)6-8-19-17(21)14-7-10-20-11-9-18-16(20)12-14/h2-5,9,11,14H,6-8,10,12H2,1H3,(H,19,21)
InChIKeyPXEJIOLICVRVTA-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.21
Rot. Bonds5

About N-[2-(2-methylsulfonylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide

N-[2-(2-methylsulfonylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 136565833) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[2-(2-methylsulfonylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylsulfonylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
PubChem CID136565833
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-[2-(2-methylsulfonylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
SMILESCS(=O)(=O)c1ccccc1CCNC(=O)C1CCn2ccnc2C1
InChIInChI=1S/C17H21N3O3S/c1-24(22,23)15-5-3-2-4-13(15)6-8-19-17(21)14-7-10-20-11-9-18-16(20)12-14/h2-5,9,11,14H,6-8,10,12H2,1H3,(H,19,21)
InChIKeyPXEJIOLICVRVTA-UHFFFAOYSA-N
XLogP1.21
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 110478158
N-[2-(4-methylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 112528929
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 112529934
N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 112527700
N-[2-(4-phenyltriazol-1-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 166270149
N-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 110476602
(7S)-N-[(2-methyl-4-propoxyphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 99794171
N-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 112530767
N-[2-(triazol-1-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 75472912
1-acetyl-N-[2-(2-hydroxyphenyl)ethyl]piperidine-4-carboxamide
CID 110672379
(7R)-N-[(1R,3S,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 97158428
N-[2-(1-phenylpyrazol-4-yl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 166310223

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylsulfonylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of N-[2-(2-methylsulfonylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide (CID 136565833) is N-[2-(2-methylsulfonylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for N-[2-(2-methylsulfonylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for N-[2-(2-methylsulfonylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide is CS(=O)(=O)c1ccccc1CCNC(=O)C1CCn2ccnc2C1.
What is the InChIKey of N-[2-(2-methylsulfonylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is PXEJIOLICVRVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-24(22,23)15-5-3-2-4-13(15)6-8-19-17(21)14-7-10-20-11-9-18-16(20)12-14/h2-5,9,11,14H,6-8,10,12H2,1H3,(H,19,21).
What are the key properties of N-[2-(2-methylsulfonylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide?
N-[2-(2-methylsulfonylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylsulfonylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 136565833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).