5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-2-methyl-N-[6-(oxan-4-ylmethylamino)-3-pyridinyl]pyridine-3-carboxamide

C30H35FN6O3 — CID 69088455

About 5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-2-methyl-N-[6-(oxan-4-ylmethylamino)-3-pyridinyl]pyridine-3-carboxamide

5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-2-methyl-N-[6-(oxan-4-ylmethylamino)-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 69088455) has the molecular formula C30H35FN6O3 and a molecular weight of 546.65 g/mol. Its IUPAC name is 5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-2-methyl-N-[6-(oxan-4-ylmethylamino)-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-2-methyl-N-[6-(oxan-4-ylmethylamino)-3-pyridinyl]pyridine-3-carboxamide
• PubChem CID: 69088455
• Molecular Formula: C30H35FN6O3
• Molecular Weight: 546.65 g/mol
• Exact Mass: 546.28
• IUPAC Name: 5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-2-methyl-N-[6-(oxan-4-ylmethylamino)-3-pyridinyl]pyridine-3-carboxamide
• SMILES: Cc1ncc(NC(=O)c2cc(F)cc(N3CCCCC3)c2)cc1C(=O)Nc1ccc(NCC2CCOCC2)nc1
• InChI: InChI=1S/C30H35FN6O3/c1-20-27(30(39)35-24-5-6-28(34-18-24)33-17-21-7-11-40-12-8-21)16-25(19-32-20)36-29(38)22-13-23(31)15-26(14-22)37-9-3-2-4-10-37/h5-6,13-16,18-19,21H,2-4,7-12,17H2,1H3,(H,33,34)(H,35,39)(H,36,38)
• InChIKey: NWYRBRFMJSWGBR-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 108.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.65
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-2-methyl-N-[6-(oxan-4-ylmethylamino)-3-pyridinyl]pyridine-3-carboxamide?

The IUPAC name of 5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-2-methyl-N-[6-(oxan-4-ylmethylamino)-3-pyridinyl]pyridine-3-carboxamide (CID 69088455) is 5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-2-methyl-N-[6-(oxan-4-ylmethylamino)-3-pyridinyl]pyridine-3-carboxamide.

What is the SMILES notation for 5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-2-methyl-N-[6-(oxan-4-ylmethylamino)-3-pyridinyl]pyridine-3-carboxamide?

The canonical SMILES for 5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-2-methyl-N-[6-(oxan-4-ylmethylamino)-3-pyridinyl]pyridine-3-carboxamide is Cc1ncc(NC(=O)c2cc(F)cc(N3CCCCC3)c2)cc1C(=O)Nc1ccc(NCC2CCOCC2)nc1.

What is the InChIKey of 5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-2-methyl-N-[6-(oxan-4-ylmethylamino)-3-pyridinyl]pyridine-3-carboxamide?

The InChIKey is NWYRBRFMJSWGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN6O3/c1-20-27(30(39)35-24-5-6-28(34-18-24)33-17-21-7-11-40-12-8-21)16-25(19-32-20)36-29(38)22-13-23(31)15-26(14-22)37-9-3-2-4-10-37/h5-6,13-16,18-19,21H,2-4,7-12,17H2,1H3,(H,33,34)(H,35,39)(H,36,38).

What are the key properties of 5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-2-methyl-N-[6-(oxan-4-ylmethylamino)-3-pyridinyl]pyridine-3-carboxamide?

5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-2-methyl-N-[6-(oxan-4-ylmethylamino)-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 546.65 g/mol, XLogP of 5.26, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-2-methyl-N-[6-(oxan-4-ylmethylamino)-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 69088455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).