N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide

C22H25N5O3 — CID 55967839

About N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide

N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide (PubChem CID 55967839) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide
• PubChem CID: 55967839
• Molecular Formula: C22H25N5O3
• Molecular Weight: 407.47 g/mol
• Exact Mass: 407.20
• IUPAC Name: N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide
• SMILES: Cc1ccc(N2NC(C(=O)NCc3ccc(OC4CCCC4)nc3)=NCC2=O)cc1
• InChI: InChI=1S/C22H25N5O3/c1-15-6-9-17(10-7-15)27-20(28)14-24-21(26-27)22(29)25-13-16-8-11-19(23-12-16)30-18-4-2-3-5-18/h6-12,18H,2-5,13-14H2,1H3,(H,24,26)(H,25,29)
• InChIKey: FKGAOHTWEIMQJH-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 95.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.47
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide?

The IUPAC name of N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide (CID 55967839) is N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide.

What is the SMILES notation for N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide?

The canonical SMILES for N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide is Cc1ccc(N2NC(C(=O)NCc3ccc(OC4CCCC4)nc3)=NCC2=O)cc1.

What is the InChIKey of N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide?

The InChIKey is FKGAOHTWEIMQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-15-6-9-17(10-7-15)27-20(28)14-24-21(26-27)22(29)25-13-16-8-11-19(23-12-16)30-18-4-2-3-5-18/h6-12,18H,2-5,13-14H2,1H3,(H,24,26)(H,25,29).

What are the key properties of N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide?

N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide is sourced from PubChem (CID 55967839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).