N-[[4-[(6-methyl-3-pyridinyl)sulfanyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

C21H17N3O2S — CID 123203809

IUPACN-[[4-[(6-methyl-3-pyridinyl)sulfanyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCc1ccc(Sc2ccc(CNC(=O)c3cc4ccncc4o3)cc2)cn1
InChIInChI=1S/C21H17N3O2S/c1-14-2-5-18(12-23-14)27-17-6-3-15(4-7-17)11-24-21(25)19-10-16-8-9-22-13-20(16)26-19/h2-10,12-13H,11H2,1H3,(H,24,25)
InChIKeyOYZQQSJJXVQVCD-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.61
Rot. Bonds5

About N-[[4-[(6-methyl-3-pyridinyl)sulfanyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[4-[(6-methyl-3-pyridinyl)sulfanyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 123203809) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[[4-[(6-methyl-3-pyridinyl)sulfanyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(6-methyl-3-pyridinyl)sulfanyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID123203809
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC NameN-[[4-[(6-methyl-3-pyridinyl)sulfanyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCc1ccc(Sc2ccc(CNC(=O)c3cc4ccncc4o3)cc2)cn1
InChIInChI=1S/C21H17N3O2S/c1-14-2-5-18(12-23-14)27-17-6-3-15(4-7-17)11-24-21(25)19-10-16-8-9-22-13-20(16)26-19/h2-10,12-13H,11H2,1H3,(H,24,25)
InChIKeyOYZQQSJJXVQVCD-UHFFFAOYSA-N
XLogP4.61
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-[(6-methyl-3-pyridinyl)sulfanyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide with MolForge

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Related Compounds

5-amino-N-[(6-methyl-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide
CID 62995244
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 22668169
N-[[4-[(2,5-dimethyl-3H-pyrrol-4-yl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 146220992
N-[[4-(2-chloro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 66609129
N-[[4-(2-ethylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 88919820
N-[[4-(2,5-dimethoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 90012795
N-[[4-(1-methylindazol-3-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 155093945
N-[[5-[(6-methyl-3-pyridinyl)sulfonyl]-2-pyridinyl]methyl]furo[3,2-c]pyridine-2-carboxamide
CID 118193603
N-[[4-(3,5-dimethylpiperazin-1-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 123232842
N-[[4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 90013163
N-[[5-[(5-methyl-3-pyridinyl)sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 118193628
N-[[4-(3-piperidin-1-ylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 66610729

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(6-methyl-3-pyridinyl)sulfanyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-[(6-methyl-3-pyridinyl)sulfanyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 123203809) is N-[[4-[(6-methyl-3-pyridinyl)sulfanyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-[(6-methyl-3-pyridinyl)sulfanyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-[(6-methyl-3-pyridinyl)sulfanyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is Cc1ccc(Sc2ccc(CNC(=O)c3cc4ccncc4o3)cc2)cn1.
What is the InChIKey of N-[[4-[(6-methyl-3-pyridinyl)sulfanyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is OYZQQSJJXVQVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c1-14-2-5-18(12-23-14)27-17-6-3-15(4-7-17)11-24-21(25)19-10-16-8-9-22-13-20(16)26-19/h2-10,12-13H,11H2,1H3,(H,24,25).
What are the key properties of N-[[4-[(6-methyl-3-pyridinyl)sulfanyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[4-[(6-methyl-3-pyridinyl)sulfanyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(6-methyl-3-pyridinyl)sulfanyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 123203809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).