N-[6-[4-(methoxymethylsulfanyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide

C17H18N2O2S — CID 86717676

IUPACN-[6-[4-(methoxymethylsulfanyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCOCSc1ccc(-c2cccc(NC(=O)C3CC3)n2)cc1
InChIInChI=1S/C17H18N2O2S/c1-21-11-22-14-9-7-12(8-10-14)15-3-2-4-16(18-15)19-17(20)13-5-6-13/h2-4,7-10,13H,5-6,11H2,1H3,(H,18,19,20)
InChIKeyLOKSGSWRYMDJNL-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.79
Rot. Bonds6

About N-[6-[4-(methoxymethylsulfanyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide

N-[6-[4-(methoxymethylsulfanyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 86717676) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[6-[4-(methoxymethylsulfanyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[4-(methoxymethylsulfanyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID86717676
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-[6-[4-(methoxymethylsulfanyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCOCSc1ccc(-c2cccc(NC(=O)C3CC3)n2)cc1
InChIInChI=1S/C17H18N2O2S/c1-21-11-22-14-9-7-12(8-10-14)15-3-2-4-16(18-15)19-17(20)13-5-6-13/h2-4,7-10,13H,5-6,11H2,1H3,(H,18,19,20)
InChIKeyLOKSGSWRYMDJNL-UHFFFAOYSA-N
XLogP3.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-[6-(4-methylphenyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide
CID 138024829
1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide
CID 25469709
N-[6-(3,5-dimethoxyphenyl)-2-pyridinyl]-3,3-difluorocyclobutane-1-carboxamide
CID 139004800
ethyl 2-oxo-2-[(6-phenyl-2-pyridinyl)amino]acetate
CID 110481902
N-[(2S)-1-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]-3-hydroxy-1-oxopropan-2-yl]cyclopropanecarboxamide
CID 57406789
methyl (3S)-3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 99805623
N-[6-(cyclohexanecarbonylamino)-2-pyridinyl]cyclohexanecarboxamide
CID 5223932
1-cyano-N-(6-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 118980441
4-(6-acetamido-2-pyridinyl)benzoic acid
CID 141378052
N-(6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)cyclopropanecarboxamide
CID 67373199
cis-(1R,3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 95401115
N-(6-methoxy-2-pyridinyl)azetidine-3-carboxamide;hydrochloride
CID 142435091

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(methoxymethylsulfanyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[4-(methoxymethylsulfanyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide (CID 86717676) is N-[6-[4-(methoxymethylsulfanyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[4-(methoxymethylsulfanyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[4-(methoxymethylsulfanyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide is COCSc1ccc(-c2cccc(NC(=O)C3CC3)n2)cc1.
What is the InChIKey of N-[6-[4-(methoxymethylsulfanyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is LOKSGSWRYMDJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-21-11-22-14-9-7-12(8-10-14)15-3-2-4-16(18-15)19-17(20)13-5-6-13/h2-4,7-10,13H,5-6,11H2,1H3,(H,18,19,20).
What are the key properties of N-[6-[4-(methoxymethylsulfanyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide?
N-[6-[4-(methoxymethylsulfanyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 314.41 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(methoxymethylsulfanyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 86717676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).