1-[(2S,3R,4R)-4-anilino-2-cyclopropyl-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone

C20H23N3O — CID 85472288

About 1-[(2S,3R,4R)-4-anilino-2-cyclopropyl-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone

1-[(2S,3R,4R)-4-anilino-2-cyclopropyl-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone (PubChem CID 85472288) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-[(2S,3R,4R)-4-anilino-2-cyclopropyl-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[(2S,3R,4R)-4-anilino-2-cyclopropyl-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone
• PubChem CID: 85472288
• Molecular Formula: C20H23N3O
• Molecular Weight: 321.42 g/mol
• Exact Mass: 321.18
• IUPAC Name: 1-[(2S,3R,4R)-4-anilino-2-cyclopropyl-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone
• SMILES: CC(=O)N1c2cccnc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1
• InChI: InChI=1S/C20H23N3O/c1-13-18(22-16-7-4-3-5-8-16)19-17(9-6-12-21-19)23(14(2)24)20(13)15-10-11-15/h3-9,12-13,15,18,20,22H,10-11H2,1-2H3/t13-,18-,20-/m1/s1
• InChIKey: KCEWIZJCEASRCQ-CFSSXQINSA-N
• XLogP: 4.02
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	321.42
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3R,4R)-4-anilino-2-cyclopropyl-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone?

The IUPAC name of 1-[(2S,3R,4R)-4-anilino-2-cyclopropyl-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone (CID 85472288) is 1-[(2S,3R,4R)-4-anilino-2-cyclopropyl-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone.

What is the SMILES notation for 1-[(2S,3R,4R)-4-anilino-2-cyclopropyl-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone?

The canonical SMILES for 1-[(2S,3R,4R)-4-anilino-2-cyclopropyl-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone is CC(=O)N1c2cccnc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1.

What is the InChIKey of 1-[(2S,3R,4R)-4-anilino-2-cyclopropyl-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone?

The InChIKey is KCEWIZJCEASRCQ-CFSSXQINSA-N. The full InChI is InChI=1S/C20H23N3O/c1-13-18(22-16-7-4-3-5-8-16)19-17(9-6-12-21-19)23(14(2)24)20(13)15-10-11-15/h3-9,12-13,15,18,20,22H,10-11H2,1-2H3/t13-,18-,20-/m1/s1.

What are the key properties of 1-[(2S,3R,4R)-4-anilino-2-cyclopropyl-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone?

1-[(2S,3R,4R)-4-anilino-2-cyclopropyl-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone has a molecular weight of 321.42 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S,3R,4R)-4-anilino-2-cyclopropyl-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone is sourced from PubChem (CID 85472288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).