2-[(1S)-3-fluoro-3-methylcyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide;1-methoxy-3-(trifluoromethyl)benzene

C24H25F4N3O3 — CID 177193376

About 2-[(1S)-3-fluoro-3-methylcyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide;1-methoxy-3-(trifluoromethyl)benzene

2-[(1S)-3-fluoro-3-methylcyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide;1-methoxy-3-(trifluoromethyl)benzene (PubChem CID 177193376) has the molecular formula C24H25F4N3O3 and a molecular weight of 479.47 g/mol. Its IUPAC name is 2-[(1S)-3-fluoro-3-methylcyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide;1-methoxy-3-(trifluoromethyl)benzene.

Molecular Properties

• Compound Name: 2-[(1S)-3-fluoro-3-methylcyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide;1-methoxy-3-(trifluoromethyl)benzene
• PubChem CID: 177193376
• Molecular Formula: C24H25F4N3O3
• Molecular Weight: 479.47 g/mol
• Exact Mass: 479.18
• IUPAC Name: 2-[(1S)-3-fluoro-3-methylcyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide;1-methoxy-3-(trifluoromethyl)benzene
• SMILES: CC1(F)CCC[C@H](c2cc(=O)c3c(C(N)=O)nccc3[nH]2)C1.COc1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C16H18FN3O2.C8H7F3O/c1-16(17)5-2-3-9(8-16)11-7-12(21)13-10(20-11)4-6-19-14(13)15(18)22;1-12-7-4-2-3-6(5-7)8(9,10)11/h4,6-7,9H,2-3,5,8H2,1H3,(H2,18,22)(H,20,21);2-5H,1H3/t9-,16?;/m0./s1
• InChIKey: YEISIWXHIKVKBO-PRTWYCRJSA-N
• XLogP: 5.12
• TPSA: 98.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.47
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-3-fluoro-3-methylcyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide;1-methoxy-3-(trifluoromethyl)benzene?

The IUPAC name of 2-[(1S)-3-fluoro-3-methylcyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide;1-methoxy-3-(trifluoromethyl)benzene (CID 177193376) is 2-[(1S)-3-fluoro-3-methylcyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide;1-methoxy-3-(trifluoromethyl)benzene.

What is the SMILES notation for 2-[(1S)-3-fluoro-3-methylcyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide;1-methoxy-3-(trifluoromethyl)benzene?

The canonical SMILES for 2-[(1S)-3-fluoro-3-methylcyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide;1-methoxy-3-(trifluoromethyl)benzene is CC1(F)CCC[C@H](c2cc(=O)c3c(C(N)=O)nccc3[nH]2)C1.COc1cccc(C(F)(F)F)c1.

What is the InChIKey of 2-[(1S)-3-fluoro-3-methylcyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide;1-methoxy-3-(trifluoromethyl)benzene?

The InChIKey is YEISIWXHIKVKBO-PRTWYCRJSA-N. The full InChI is InChI=1S/C16H18FN3O2.C8H7F3O/c1-16(17)5-2-3-9(8-16)11-7-12(21)13-10(20-11)4-6-19-14(13)15(18)22;1-12-7-4-2-3-6(5-7)8(9,10)11/h4,6-7,9H,2-3,5,8H2,1H3,(H2,18,22)(H,20,21);2-5H,1H3/t9-,16?;/m0./s1.

What are the key properties of 2-[(1S)-3-fluoro-3-methylcyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide;1-methoxy-3-(trifluoromethyl)benzene?

2-[(1S)-3-fluoro-3-methylcyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide;1-methoxy-3-(trifluoromethyl)benzene has a molecular weight of 479.47 g/mol, XLogP of 5.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1S)-3-fluoro-3-methylcyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide;1-methoxy-3-(trifluoromethyl)benzene is sourced from PubChem (CID 177193376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).