N-[1-(furan-3-carbonyl)piperidin-4-yl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide

C21H23N5O4 — CID 55677812

About N-[1-(furan-3-carbonyl)piperidin-4-yl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide

N-[1-(furan-3-carbonyl)piperidin-4-yl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide (PubChem CID 55677812) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is N-[1-(furan-3-carbonyl)piperidin-4-yl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-(furan-3-carbonyl)piperidin-4-yl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
• PubChem CID: 55677812
• Molecular Formula: C21H23N5O4
• Molecular Weight: 409.45 g/mol
• Exact Mass: 409.18
• IUPAC Name: N-[1-(furan-3-carbonyl)piperidin-4-yl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
• SMILES: CC1N=C(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)NN(c2ccccc2)C1=O
• InChI: InChI=1S/C21H23N5O4/c1-14-20(28)26(17-5-3-2-4-6-17)24-18(22-14)19(27)23-16-7-10-25(11-8-16)21(29)15-9-12-30-13-15/h2-6,9,12-14,16H,7-8,10-11H2,1H3,(H,22,24)(H,23,27)
• InChIKey: ATFYFIZHNMQKKR-UHFFFAOYSA-N
• XLogP: 1.34
• TPSA: 107.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.45
LogP ≤ 5	1.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?

The IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide (CID 55677812) is N-[1-(furan-3-carbonyl)piperidin-4-yl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide.

What is the SMILES notation for N-[1-(furan-3-carbonyl)piperidin-4-yl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?

The canonical SMILES for N-[1-(furan-3-carbonyl)piperidin-4-yl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide is CC1N=C(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)NN(c2ccccc2)C1=O.

What is the InChIKey of N-[1-(furan-3-carbonyl)piperidin-4-yl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?

The InChIKey is ATFYFIZHNMQKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-14-20(28)26(17-5-3-2-4-6-17)24-18(22-14)19(27)23-16-7-10-25(11-8-16)21(29)15-9-12-30-13-15/h2-6,9,12-14,16H,7-8,10-11H2,1H3,(H,22,24)(H,23,27).

What are the key properties of N-[1-(furan-3-carbonyl)piperidin-4-yl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?

N-[1-(furan-3-carbonyl)piperidin-4-yl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(furan-3-carbonyl)piperidin-4-yl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide is sourced from PubChem (CID 55677812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).