N-(2-chlorophenyl)-N-[3-[N'-methyl-N-(1-methylpyrazol-4-yl)carbamimidoyl]-6-(trifluoromethyl)-2-pyridinyl]formamide

C₁₉H₁₆ClF₃N₆O — CID 154933636

About N-(2-chlorophenyl)-N-[3-[N'-methyl-N-(1-methylpyrazol-4-yl)carbamimidoyl]-6-(trifluoromethyl)-2-pyridinyl]formamide

N-(2-chlorophenyl)-N-[3-[N'-methyl-N-(1-methylpyrazol-4-yl)carbamimidoyl]-6-(trifluoromethyl)-2-pyridinyl]formamide (PubChem CID 154933636) has the molecular formula C₁₉H₁₆ClF₃N₆O and a molecular weight of 436.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N-[3-[N'-methyl-N-(1-methylpyrazol-4-yl)carbamimidoyl]-6-(trifluoromethyl)-2-pyridinyl]formamide.

Molecular Properties

• Compound Name: N-(2-chlorophenyl)-N-[3-[N'-methyl-N-(1-methylpyrazol-4-yl)carbamimidoyl]-6-(trifluoromethyl)-2-pyridinyl]formamide
• PubChem CID: 154933636
• Molecular Formula: C₁₉H₁₆ClF₃N₆O
• Molecular Weight: 436.83 g/mol
• Exact Mass: 436.10
• IUPAC Name: N-(2-chlorophenyl)-N-[3-[N'-methyl-N-(1-methylpyrazol-4-yl)carbamimidoyl]-6-(trifluoromethyl)-2-pyridinyl]formamide
• SMILES: C/N=C(\Nc1cnn(C)c1)c1ccc(C(F)(F)F)nc1N(C=O)c1ccccc1Cl
• InChI: InChI=1S/C19H16ClF3N6O/c1-24-17(26-12-9-25-28(2)10-12)13-7-8-16(19(21,22)23)27-18(13)29(11-30)15-6-4-3-5-14(15)20/h3-11H,1-2H3,(H,24,26)
• InChIKey: GFBRWNLVZCBXIS-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 75.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.83
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N-[3-[N'-methyl-N-(1-methylpyrazol-4-yl)carbamimidoyl]-6-(trifluoromethyl)-2-pyridinyl]formamide?

The IUPAC name of N-(2-chlorophenyl)-N-[3-[N'-methyl-N-(1-methylpyrazol-4-yl)carbamimidoyl]-6-(trifluoromethyl)-2-pyridinyl]formamide (CID 154933636) is N-(2-chlorophenyl)-N-[3-[N'-methyl-N-(1-methylpyrazol-4-yl)carbamimidoyl]-6-(trifluoromethyl)-2-pyridinyl]formamide.

What is the SMILES notation for N-(2-chlorophenyl)-N-[3-[N'-methyl-N-(1-methylpyrazol-4-yl)carbamimidoyl]-6-(trifluoromethyl)-2-pyridinyl]formamide?

The canonical SMILES for N-(2-chlorophenyl)-N-[3-[N'-methyl-N-(1-methylpyrazol-4-yl)carbamimidoyl]-6-(trifluoromethyl)-2-pyridinyl]formamide is C/N=C(\Nc1cnn(C)c1)c1ccc(C(F)(F)F)nc1N(C=O)c1ccccc1Cl.

What is the InChIKey of N-(2-chlorophenyl)-N-[3-[N'-methyl-N-(1-methylpyrazol-4-yl)carbamimidoyl]-6-(trifluoromethyl)-2-pyridinyl]formamide?

The InChIKey is GFBRWNLVZCBXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N6O/c1-24-17(26-12-9-25-28(2)10-12)13-7-8-16(19(21,22)23)27-18(13)29(11-30)15-6-4-3-5-14(15)20/h3-11H,1-2H3,(H,24,26).

What are the key properties of N-(2-chlorophenyl)-N-[3-[N'-methyl-N-(1-methylpyrazol-4-yl)carbamimidoyl]-6-(trifluoromethyl)-2-pyridinyl]formamide?

N-(2-chlorophenyl)-N-[3-[N'-methyl-N-(1-methylpyrazol-4-yl)carbamimidoyl]-6-(trifluoromethyl)-2-pyridinyl]formamide has a molecular weight of 436.83 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chlorophenyl)-N-[3-[N'-methyl-N-(1-methylpyrazol-4-yl)carbamimidoyl]-6-(trifluoromethyl)-2-pyridinyl]formamide is sourced from PubChem (CID 154933636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154933636 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.