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

C16H16N4O2S — CID 8891818

IUPACN-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1ccnn1Cc1ccc(C)o1
InChIInChI=1S/C16H16N4O2S/c1-11-5-6-12(22-11)10-20-14(7-9-18-20)19-15(21)13-4-3-8-17-16(13)23-2/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyPPVSCOKMDZJKOS-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.20
Rot. Bonds5

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

N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 8891818) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID8891818
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1ccnn1Cc1ccc(C)o1
InChIInChI=1S/C16H16N4O2S/c1-11-5-6-12(22-11)10-20-14(7-9-18-20)19-15(21)13-4-3-8-17-16(13)23-2/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyPPVSCOKMDZJKOS-UHFFFAOYSA-N
XLogP3.20
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide (CID 8891818) is N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)Nc1ccnn1Cc1ccc(C)o1.
What is the InChIKey of N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is PPVSCOKMDZJKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-11-5-6-12(22-11)10-20-14(7-9-18-20)19-15(21)13-4-3-8-17-16(13)23-2/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide?
N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 3.20, 5 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-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 8891818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).