2-[6-(3,3-difluorocyclobutyl)-2-(4,4-difluorocyclohexyl)-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide

C24H22F4N4O2 — CID 169249780

About 2-[6-(3,3-difluorocyclobutyl)-2-(4,4-difluorocyclohexyl)-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide

2-[6-(3,3-difluorocyclobutyl)-2-(4,4-difluorocyclohexyl)-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide (PubChem CID 169249780) has the molecular formula C24H22F4N4O2 and a molecular weight of 474.46 g/mol. Its IUPAC name is 2-[6-(3,3-difluorocyclobutyl)-2-(4,4-difluorocyclohexyl)-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide.

Molecular Properties

• Compound Name: 2-[6-(3,3-difluorocyclobutyl)-2-(4,4-difluorocyclohexyl)-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
• PubChem CID: 169249780
• Molecular Formula: C24H22F4N4O2
• Molecular Weight: 474.46 g/mol
• Exact Mass: 474.17
• IUPAC Name: 2-[6-(3,3-difluorocyclobutyl)-2-(4,4-difluorocyclohexyl)-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
• SMILES: NC(=O)c1nccc2[nH]c(-c3ccc(C4CC(F)(F)C4)nc3C3CCC(F)(F)CC3)cc(=O)c12
• InChI: InChI=1S/C24H22F4N4O2/c25-23(26)6-3-12(4-7-23)20-14(1-2-15(32-20)13-10-24(27,28)11-13)17-9-18(33)19-16(31-17)5-8-30-21(19)22(29)34/h1-2,5,8-9,12-13H,3-4,6-7,10-11H2,(H2,29,34)(H,31,33)
• InChIKey: BJCWKPZGMBWBED-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 101.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.46
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,3-difluorocyclobutyl)-2-(4,4-difluorocyclohexyl)-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?

The IUPAC name of 2-[6-(3,3-difluorocyclobutyl)-2-(4,4-difluorocyclohexyl)-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide (CID 169249780) is 2-[6-(3,3-difluorocyclobutyl)-2-(4,4-difluorocyclohexyl)-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide.

What is the SMILES notation for 2-[6-(3,3-difluorocyclobutyl)-2-(4,4-difluorocyclohexyl)-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?

The canonical SMILES for 2-[6-(3,3-difluorocyclobutyl)-2-(4,4-difluorocyclohexyl)-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide is NC(=O)c1nccc2[nH]c(-c3ccc(C4CC(F)(F)C4)nc3C3CCC(F)(F)CC3)cc(=O)c12.

What is the InChIKey of 2-[6-(3,3-difluorocyclobutyl)-2-(4,4-difluorocyclohexyl)-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?

The InChIKey is BJCWKPZGMBWBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F4N4O2/c25-23(26)6-3-12(4-7-23)20-14(1-2-15(32-20)13-10-24(27,28)11-13)17-9-18(33)19-16(31-17)5-8-30-21(19)22(29)34/h1-2,5,8-9,12-13H,3-4,6-7,10-11H2,(H2,29,34)(H,31,33).

What are the key properties of 2-[6-(3,3-difluorocyclobutyl)-2-(4,4-difluorocyclohexyl)-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?

2-[6-(3,3-difluorocyclobutyl)-2-(4,4-difluorocyclohexyl)-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide has a molecular weight of 474.46 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(3,3-difluorocyclobutyl)-2-(4,4-difluorocyclohexyl)-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide is sourced from PubChem (CID 169249780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).