N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide

C20H19N5O3S — CID 8852733

IUPACN-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
SMILESCc1cc(CSc2ncccc2C(=O)Nc2ccnn2Cc2ccc(C)o2)no1
InChIInChI=1S/C20H19N5O3S/c1-13-5-6-16(27-13)11-25-18(7-9-22-25)23-19(26)17-4-3-8-21-20(17)29-12-15-10-14(2)28-24-15/h3-10H,11-12H2,1-2H3,(H,23,26)
InChIKeyNVAQRPOVFWWMHK-UHFFFAOYSA-N
MW409.47 g/mol
LogP4.07
Rot. Bonds7

About N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide

N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide (PubChem CID 8852733) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
PubChem CID8852733
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC NameN-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
SMILESCc1cc(CSc2ncccc2C(=O)Nc2ccnn2Cc2ccc(C)o2)no1
InChIInChI=1S/C20H19N5O3S/c1-13-5-6-16(27-13)11-25-18(7-9-22-25)23-19(26)17-4-3-8-21-20(17)29-12-15-10-14(2)28-24-15/h3-10H,11-12H2,1-2H3,(H,23,26)
InChIKeyNVAQRPOVFWWMHK-UHFFFAOYSA-N
XLogP4.07
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide (CID 8852733) is N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide is Cc1cc(CSc2ncccc2C(=O)Nc2ccnn2Cc2ccc(C)o2)no1.
What is the InChIKey of N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?
The InChIKey is NVAQRPOVFWWMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c1-13-5-6-16(27-13)11-25-18(7-9-22-25)23-19(26)17-4-3-8-21-20(17)29-12-15-10-14(2)28-24-15/h3-10H,11-12H2,1-2H3,(H,23,26).
What are the key properties of N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?
N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide is sourced from PubChem (CID 8852733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).