5-(3-fluoro-5-piperidin-1-ylanilino)-2-methyl-N-[6-(2-methylpropylamino)-3-pyridinyl]pyridine-3-carboxamide

C27H33FN6O — CID 69085054

About 5-(3-fluoro-5-piperidin-1-ylanilino)-2-methyl-N-[6-(2-methylpropylamino)-3-pyridinyl]pyridine-3-carboxamide

5-(3-fluoro-5-piperidin-1-ylanilino)-2-methyl-N-[6-(2-methylpropylamino)-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 69085054) has the molecular formula C27H33FN6O and a molecular weight of 476.60 g/mol. Its IUPAC name is 5-(3-fluoro-5-piperidin-1-ylanilino)-2-methyl-N-[6-(2-methylpropylamino)-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(3-fluoro-5-piperidin-1-ylanilino)-2-methyl-N-[6-(2-methylpropylamino)-3-pyridinyl]pyridine-3-carboxamide
• PubChem CID: 69085054
• Molecular Formula: C27H33FN6O
• Molecular Weight: 476.60 g/mol
• Exact Mass: 476.27
• IUPAC Name: 5-(3-fluoro-5-piperidin-1-ylanilino)-2-methyl-N-[6-(2-methylpropylamino)-3-pyridinyl]pyridine-3-carboxamide
• SMILES: Cc1ncc(Nc2cc(F)cc(N3CCCCC3)c2)cc1C(=O)Nc1ccc(NCC(C)C)nc1
• InChI: InChI=1S/C27H33FN6O/c1-18(2)15-30-26-8-7-21(16-31-26)33-27(35)25-14-23(17-29-19(25)3)32-22-11-20(28)12-24(13-22)34-9-5-4-6-10-34/h7-8,11-14,16-18,32H,4-6,9-10,15H2,1-3H3,(H,30,31)(H,33,35)
• InChIKey: CXXFFWAFIUBCLM-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 82.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.60
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-5-piperidin-1-ylanilino)-2-methyl-N-[6-(2-methylpropylamino)-3-pyridinyl]pyridine-3-carboxamide?

The IUPAC name of 5-(3-fluoro-5-piperidin-1-ylanilino)-2-methyl-N-[6-(2-methylpropylamino)-3-pyridinyl]pyridine-3-carboxamide (CID 69085054) is 5-(3-fluoro-5-piperidin-1-ylanilino)-2-methyl-N-[6-(2-methylpropylamino)-3-pyridinyl]pyridine-3-carboxamide.

What is the SMILES notation for 5-(3-fluoro-5-piperidin-1-ylanilino)-2-methyl-N-[6-(2-methylpropylamino)-3-pyridinyl]pyridine-3-carboxamide?

The canonical SMILES for 5-(3-fluoro-5-piperidin-1-ylanilino)-2-methyl-N-[6-(2-methylpropylamino)-3-pyridinyl]pyridine-3-carboxamide is Cc1ncc(Nc2cc(F)cc(N3CCCCC3)c2)cc1C(=O)Nc1ccc(NCC(C)C)nc1.

What is the InChIKey of 5-(3-fluoro-5-piperidin-1-ylanilino)-2-methyl-N-[6-(2-methylpropylamino)-3-pyridinyl]pyridine-3-carboxamide?

The InChIKey is CXXFFWAFIUBCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN6O/c1-18(2)15-30-26-8-7-21(16-31-26)33-27(35)25-14-23(17-29-19(25)3)32-22-11-20(28)12-24(13-22)34-9-5-4-6-10-34/h7-8,11-14,16-18,32H,4-6,9-10,15H2,1-3H3,(H,30,31)(H,33,35).

What are the key properties of 5-(3-fluoro-5-piperidin-1-ylanilino)-2-methyl-N-[6-(2-methylpropylamino)-3-pyridinyl]pyridine-3-carboxamide?

5-(3-fluoro-5-piperidin-1-ylanilino)-2-methyl-N-[6-(2-methylpropylamino)-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 476.60 g/mol, XLogP of 5.98, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-fluoro-5-piperidin-1-ylanilino)-2-methyl-N-[6-(2-methylpropylamino)-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 69085054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).