N-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1-methyl-6-oxopyridine-3-carboxamide

C15H14N4O3 — CID 119049958

IUPACN-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1nc(-c2ccco2)cc1NC(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C15H14N4O3/c1-18-9-10(5-6-14(18)20)15(21)16-13-8-11(17-19(13)2)12-4-3-7-22-12/h3-9H,1-2H3,(H,16,21)
InChIKeySDQMKQOMBPVQGU-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.63
Rot. Bonds3

About N-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1-methyl-6-oxopyridine-3-carboxamide

N-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 119049958) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID119049958
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC NameN-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1nc(-c2ccco2)cc1NC(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C15H14N4O3/c1-18-9-10(5-6-14(18)20)15(21)16-13-8-11(17-19(13)2)12-4-3-7-22-12/h3-9H,1-2H3,(H,16,21)
InChIKeySDQMKQOMBPVQGU-UHFFFAOYSA-N
XLogP1.63
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1-methyl-6-oxopyridine-3-carboxamide (CID 119049958) is N-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1-methyl-6-oxopyridine-3-carboxamide is Cn1nc(-c2ccco2)cc1NC(=O)c1ccc(=O)n(C)c1.
What is the InChIKey of N-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is SDQMKQOMBPVQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-18-9-10(5-6-14(18)20)15(21)16-13-8-11(17-19(13)2)12-4-3-7-22-12/h3-9H,1-2H3,(H,16,21).
What are the key properties of N-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1-methyl-6-oxopyridine-3-carboxamide?
N-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 298.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 119049958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).