N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide

C21H18N4O2S — CID 8891816

IUPACN-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide
SMILESCc1ccc(Cn2nccc2NC(=O)c2cccnc2Sc2ccccc2)o1
InChIInChI=1S/C21H18N4O2S/c1-15-9-10-16(27-15)14-25-19(11-13-23-25)24-20(26)18-8-5-12-22-21(18)28-17-6-3-2-4-7-17/h2-13H,14H2,1H3,(H,24,26)
InChIKeyCBQVBFDUTINBNE-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.63
Rot. Bonds6

About N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide

N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide (PubChem CID 8891816) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide
PubChem CID8891816
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC NameN-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide
SMILESCc1ccc(Cn2nccc2NC(=O)c2cccnc2Sc2ccccc2)o1
InChIInChI=1S/C21H18N4O2S/c1-15-9-10-16(27-15)14-25-19(11-13-23-25)24-20(26)18-8-5-12-22-21(18)28-17-6-3-2-4-7-17/h2-13H,14H2,1H3,(H,24,26)
InChIKeyCBQVBFDUTINBNE-UHFFFAOYSA-N
XLogP4.63
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-2-((3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetamide
CID 5310234
2-(2-fluoroanilino)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyridine-3-carboxamide
CID 8002151
6-ethylsulfanyl-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]pyridine-3-carboxamide
CID 56786930
N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide
CID 8903095
N-[(Furan-2-YL)methyl]-3-({[1-phenyl-5-(1H-pyrrol-1-YL)-1H-pyrazol-4-YL]methyl}sulfanyl)propanamide
CID 22511711
N-(6-((pyridin-3-ylmethyl)thio)pyridazin-3-yl)furan-2-carboxamide
CID 42111613
N-(6-((pyridin-4-ylmethyl)thio)pyridazin-3-yl)furan-2-carboxamide
CID 42111616
N-(6-((4-oxo-4-((pyridin-4-ylmethyl)amino)butyl)thio)pyridazin-3-yl)furan-2-carboxamide
CID 42173865
2-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide
CID 8010116
2-(difluoromethylsulfanyl)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyridine-3-carboxamide
CID 8851814
2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]acetamide
CID 40210120
N-(2-Ethyl-2H-pyrazol-3-yl)-5-fluoro-2-(3-methylsulfanyl-phenoxy)-nicotinamide
CID 59984464

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide (CID 8891816) is N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide is Cc1ccc(Cn2nccc2NC(=O)c2cccnc2Sc2ccccc2)o1.
What is the InChIKey of N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide?
The InChIKey is CBQVBFDUTINBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-15-9-10-16(27-15)14-25-19(11-13-23-25)24-20(26)18-8-5-12-22-21(18)28-17-6-3-2-4-7-17/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide?
N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 8891816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).