N-[3-[(3-methylphenyl)methylsulfanyl]propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

C18H24N4OS — CID 70785667

IUPACN-[3-[(3-methylphenyl)methylsulfanyl]propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESCc1cccc(CSCCCNC(=O)C2NCCc3[nH]cnc32)c1
InChIInChI=1S/C18H24N4OS/c1-13-4-2-5-14(10-13)11-24-9-3-7-20-18(23)17-16-15(6-8-19-17)21-12-22-16/h2,4-5,10,12,17,19H,3,6-9,11H2,1H3,(H,20,23)(H,21,22)
InChIKeyQSKLPHOKNNZDLD-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.34
Rot. Bonds7

About N-[3-[(3-methylphenyl)methylsulfanyl]propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

N-[3-[(3-methylphenyl)methylsulfanyl]propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide (PubChem CID 70785667) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[3-[(3-methylphenyl)methylsulfanyl]propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-methylphenyl)methylsulfanyl]propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
PubChem CID70785667
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC NameN-[3-[(3-methylphenyl)methylsulfanyl]propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESCc1cccc(CSCCCNC(=O)C2NCCc3[nH]cnc32)c1
InChIInChI=1S/C18H24N4OS/c1-13-4-2-5-14(10-13)11-24-9-3-7-20-18(23)17-16-15(6-8-19-17)21-12-22-16/h2,4-5,10,12,17,19H,3,6-9,11H2,1H3,(H,20,23)(H,21,22)
InChIKeyQSKLPHOKNNZDLD-UHFFFAOYSA-N
XLogP2.34
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[(3-methylphenyl)methylsulfanyl]propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide with MolForge

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Related Compounds

(4S)-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 95872075
N-[2-(2H-triazol-4-ylsulfanyl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 70769656
(4R)-N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 95862542
(4S)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 95885150
(3R)-3-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]piperidine-1,3-dicarboxamide
CID 97145050
4-[(3-methylphenyl)methylsulfanyl]butanoic acid
CID 60644612
(3R)-1-methyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide
CID 99970102
1-(2,6-difluorophenyl)-3-[3-[(3-methylphenyl)methylsulfanyl]propyl]thiourea
CID 100694548
N-[3-[(3-methylphenyl)methylsulfanyl]propyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115786
1-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-3-propylurea
CID 100748357
N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentanamine
CID 55112789
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]piperidine-3-carboxamide
CID 43934393

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-methylphenyl)methylsulfanyl]propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The IUPAC name of N-[3-[(3-methylphenyl)methylsulfanyl]propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide (CID 70785667) is N-[3-[(3-methylphenyl)methylsulfanyl]propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[(3-methylphenyl)methylsulfanyl]propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[(3-methylphenyl)methylsulfanyl]propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide is Cc1cccc(CSCCCNC(=O)C2NCCc3[nH]cnc32)c1.
What is the InChIKey of N-[3-[(3-methylphenyl)methylsulfanyl]propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The InChIKey is QSKLPHOKNNZDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-13-4-2-5-14(10-13)11-24-9-3-7-20-18(23)17-16-15(6-8-19-17)21-12-22-16/h2,4-5,10,12,17,19H,3,6-9,11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-[(3-methylphenyl)methylsulfanyl]propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
N-[3-[(3-methylphenyl)methylsulfanyl]propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 2.34, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-methylphenyl)methylsulfanyl]propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 70785667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).