N-[(4-methylsulfanylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

C16H19N3OS — CID 53167923

IUPACN-[(4-methylsulfanylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCSc1ccc(CNC(=O)c2cn3c(n2)CCCC3)cc1
InChIInChI=1S/C16H19N3OS/c1-21-13-7-5-12(6-8-13)10-17-16(20)14-11-19-9-3-2-4-15(19)18-14/h5-8,11H,2-4,9-10H2,1H3,(H,17,20)
InChIKeyCTDJYGWHEKUUQR-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.87
Rot. Bonds4

About N-[(4-methylsulfanylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

N-[(4-methylsulfanylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 53167923) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is N-[(4-methylsulfanylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methylsulfanylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID53167923
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC NameN-[(4-methylsulfanylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCSc1ccc(CNC(=O)c2cn3c(n2)CCCC3)cc1
InChIInChI=1S/C16H19N3OS/c1-21-13-7-5-12(6-8-13)10-17-16(20)14-11-19-9-3-2-4-15(19)18-14/h5-8,11H,2-4,9-10H2,1H3,(H,17,20)
InChIKeyCTDJYGWHEKUUQR-UHFFFAOYSA-N
XLogP2.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-propan-2-ylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 71838020
N-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 53167909
N-[(2-bromophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 71838021
ethane;N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 145225752
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;hydrochloride
CID 155938715
N-benzyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride
CID 155971749
N-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 71838087
(6R)-N-[(4-fluorophenyl)methyl]-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93009766
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 71840291
4-methylsulfanyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 78889639
N-[(4-methylsulfanylphenyl)methyl]-7-oxo-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
CID 53053764
2-(4-methylsulfanylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 54458815

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfanylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[(4-methylsulfanylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (CID 53167923) is N-[(4-methylsulfanylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-methylsulfanylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(4-methylsulfanylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is CSc1ccc(CNC(=O)c2cn3c(n2)CCCC3)cc1.
What is the InChIKey of N-[(4-methylsulfanylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is CTDJYGWHEKUUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-21-13-7-5-12(6-8-13)10-17-16(20)14-11-19-9-3-2-4-15(19)18-14/h5-8,11H,2-4,9-10H2,1H3,(H,17,20).
What are the key properties of N-[(4-methylsulfanylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
N-[(4-methylsulfanylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 301.42 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfanylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 53167923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).