N-[4-(3-aminocyclohexyl)-3-pyridinyl]-6-(2,6-difluoro-3-prop-1-en-2-ylphenyl)-5-fluoropyridine-2-carboxamide

C26H25F3N4O — CID 91386223

About N-[4-(3-aminocyclohexyl)-3-pyridinyl]-6-(2,6-difluoro-3-prop-1-en-2-ylphenyl)-5-fluoropyridine-2-carboxamide

N-[4-(3-aminocyclohexyl)-3-pyridinyl]-6-(2,6-difluoro-3-prop-1-en-2-ylphenyl)-5-fluoropyridine-2-carboxamide (PubChem CID 91386223) has the molecular formula C26H25F3N4O and a molecular weight of 466.51 g/mol. Its IUPAC name is N-[4-(3-aminocyclohexyl)-3-pyridinyl]-6-(2,6-difluoro-3-prop-1-en-2-ylphenyl)-5-fluoropyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-(3-aminocyclohexyl)-3-pyridinyl]-6-(2,6-difluoro-3-prop-1-en-2-ylphenyl)-5-fluoropyridine-2-carboxamide
• PubChem CID: 91386223
• Molecular Formula: C26H25F3N4O
• Molecular Weight: 466.51 g/mol
• Exact Mass: 466.20
• IUPAC Name: N-[4-(3-aminocyclohexyl)-3-pyridinyl]-6-(2,6-difluoro-3-prop-1-en-2-ylphenyl)-5-fluoropyridine-2-carboxamide
• SMILES: C=C(C)c1ccc(F)c(-c2nc(C(=O)Nc3cnccc3C3CCCC(N)C3)ccc2F)c1F
• InChI: InChI=1S/C26H25F3N4O/c1-14(2)17-6-7-19(27)23(24(17)29)25-20(28)8-9-21(32-25)26(34)33-22-13-31-11-10-18(22)15-4-3-5-16(30)12-15/h6-11,13,15-16H,1,3-5,12,30H2,2H3,(H,33,34)
• InChIKey: NAOSUCJZEKYWCS-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 80.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.51
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminocyclohexyl)-3-pyridinyl]-6-(2,6-difluoro-3-prop-1-en-2-ylphenyl)-5-fluoropyridine-2-carboxamide?

The IUPAC name of N-[4-(3-aminocyclohexyl)-3-pyridinyl]-6-(2,6-difluoro-3-prop-1-en-2-ylphenyl)-5-fluoropyridine-2-carboxamide (CID 91386223) is N-[4-(3-aminocyclohexyl)-3-pyridinyl]-6-(2,6-difluoro-3-prop-1-en-2-ylphenyl)-5-fluoropyridine-2-carboxamide.

What is the SMILES notation for N-[4-(3-aminocyclohexyl)-3-pyridinyl]-6-(2,6-difluoro-3-prop-1-en-2-ylphenyl)-5-fluoropyridine-2-carboxamide?

The canonical SMILES for N-[4-(3-aminocyclohexyl)-3-pyridinyl]-6-(2,6-difluoro-3-prop-1-en-2-ylphenyl)-5-fluoropyridine-2-carboxamide is C=C(C)c1ccc(F)c(-c2nc(C(=O)Nc3cnccc3C3CCCC(N)C3)ccc2F)c1F.

What is the InChIKey of N-[4-(3-aminocyclohexyl)-3-pyridinyl]-6-(2,6-difluoro-3-prop-1-en-2-ylphenyl)-5-fluoropyridine-2-carboxamide?

The InChIKey is NAOSUCJZEKYWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O/c1-14(2)17-6-7-19(27)23(24(17)29)25-20(28)8-9-21(32-25)26(34)33-22-13-31-11-10-18(22)15-4-3-5-16(30)12-15/h6-11,13,15-16H,1,3-5,12,30H2,2H3,(H,33,34).

What are the key properties of N-[4-(3-aminocyclohexyl)-3-pyridinyl]-6-(2,6-difluoro-3-prop-1-en-2-ylphenyl)-5-fluoropyridine-2-carboxamide?

N-[4-(3-aminocyclohexyl)-3-pyridinyl]-6-(2,6-difluoro-3-prop-1-en-2-ylphenyl)-5-fluoropyridine-2-carboxamide has a molecular weight of 466.51 g/mol, XLogP of 5.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-aminocyclohexyl)-3-pyridinyl]-6-(2,6-difluoro-3-prop-1-en-2-ylphenyl)-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 91386223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).