1-butan-2-yl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one

C17H29N3O — CID 82521892

About 1-butan-2-yl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one

1-butan-2-yl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 82521892) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-butan-2-yl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

• Compound Name: 1-butan-2-yl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one
• PubChem CID: 82521892
• Molecular Formula: C17H29N3O
• Molecular Weight: 291.44 g/mol
• Exact Mass: 291.23
• IUPAC Name: 1-butan-2-yl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one
• SMILES: CCC(C)n1c2c(cc(CNC(C)C)c1=O)CN(C)CC2
• InChI: InChI=1S/C17H29N3O/c1-6-13(4)20-16-7-8-19(5)11-15(16)9-14(17(20)21)10-18-12(2)3/h9,12-13,18H,6-8,10-11H2,1-5H3
• InChIKey: QHAUGUSUCUMIQY-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 37.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	291.44
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one?

The IUPAC name of 1-butan-2-yl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 82521892) is 1-butan-2-yl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one.

What is the SMILES notation for 1-butan-2-yl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one?

The canonical SMILES for 1-butan-2-yl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one is CCC(C)n1c2c(cc(CNC(C)C)c1=O)CN(C)CC2.

What is the InChIKey of 1-butan-2-yl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one?

The InChIKey is QHAUGUSUCUMIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-6-13(4)20-16-7-8-19(5)11-15(16)9-14(17(20)21)10-18-12(2)3/h9,12-13,18H,6-8,10-11H2,1-5H3.

What are the key properties of 1-butan-2-yl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one?

1-butan-2-yl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 291.44 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butan-2-yl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 82521892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).