3-cyano-4-(furan-2-yl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyridine-5-carboxamide

C18H15N3O3 — CID 135070492

IUPAC3-cyano-4-(furan-2-yl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyridine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccco2)C(C#N)C(=O)N1
InChIInChI=1S/C18H15N3O3/c1-11-15(18(23)21-12-6-3-2-4-7-12)16(14-8-5-9-24-14)13(10-19)17(22)20-11/h2-9,13,16H,1H3,(H,20,22)(H,21,23)
InChIKeyIMUCHTWFWUVWKL-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.55
Rot. Bonds3

About 3-cyano-4-(furan-2-yl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyridine-5-carboxamide

3-cyano-4-(furan-2-yl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyridine-5-carboxamide (PubChem CID 135070492) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 3-cyano-4-(furan-2-yl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyridine-5-carboxamide.

Molecular Properties

Compound Name3-cyano-4-(furan-2-yl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyridine-5-carboxamide
PubChem CID135070492
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name3-cyano-4-(furan-2-yl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyridine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccco2)C(C#N)C(=O)N1
InChIInChI=1S/C18H15N3O3/c1-11-15(18(23)21-12-6-3-2-4-7-12)16(14-8-5-9-24-14)13(10-19)17(22)20-11/h2-9,13,16H,1H3,(H,20,22)(H,21,23)
InChIKeyIMUCHTWFWUVWKL-UHFFFAOYSA-N
XLogP2.55
TPSA95.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-(furan-2-yl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyridine-5-carboxamide?
The IUPAC name of 3-cyano-4-(furan-2-yl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyridine-5-carboxamide (CID 135070492) is 3-cyano-4-(furan-2-yl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyridine-5-carboxamide.
What is the SMILES notation for 3-cyano-4-(furan-2-yl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyridine-5-carboxamide?
The canonical SMILES for 3-cyano-4-(furan-2-yl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyridine-5-carboxamide is CC1=C(C(=O)Nc2ccccc2)C(c2ccco2)C(C#N)C(=O)N1.
What is the InChIKey of 3-cyano-4-(furan-2-yl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyridine-5-carboxamide?
The InChIKey is IMUCHTWFWUVWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-11-15(18(23)21-12-6-3-2-4-7-12)16(14-8-5-9-24-14)13(10-19)17(22)20-11/h2-9,13,16H,1H3,(H,20,22)(H,21,23).
What are the key properties of 3-cyano-4-(furan-2-yl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyridine-5-carboxamide?
3-cyano-4-(furan-2-yl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyridine-5-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-(furan-2-yl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyridine-5-carboxamide is sourced from PubChem (CID 135070492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).