6-acetyl-4-(7-azaspiro[3.5]nonan-7-yl)-3-methyl-1H-1,7-naphthyridin-2-one

C19H23N3O2 — CID 155024133

IUPAC6-acetyl-4-(7-azaspiro[3.5]nonan-7-yl)-3-methyl-1H-1,7-naphthyridin-2-one
SMILESCC(=O)c1cc2c(N3CCC4(CCC4)CC3)c(C)c(=O)[nH]c2cn1
InChIInChI=1S/C19H23N3O2/c1-12-17(22-8-6-19(7-9-22)4-3-5-19)14-10-15(13(2)23)20-11-16(14)21-18(12)24/h10-11H,3-9H2,1-2H3,(H,21,24)
InChIKeyPKCOPJCUYWNCKB-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.20
Rot. Bonds2

About 6-acetyl-4-(7-azaspiro[3.5]nonan-7-yl)-3-methyl-1H-1,7-naphthyridin-2-one

6-acetyl-4-(7-azaspiro[3.5]nonan-7-yl)-3-methyl-1H-1,7-naphthyridin-2-one (PubChem CID 155024133) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 6-acetyl-4-(7-azaspiro[3.5]nonan-7-yl)-3-methyl-1H-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name6-acetyl-4-(7-azaspiro[3.5]nonan-7-yl)-3-methyl-1H-1,7-naphthyridin-2-one
PubChem CID155024133
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name6-acetyl-4-(7-azaspiro[3.5]nonan-7-yl)-3-methyl-1H-1,7-naphthyridin-2-one
SMILESCC(=O)c1cc2c(N3CCC4(CCC4)CC3)c(C)c(=O)[nH]c2cn1
InChIInChI=1S/C19H23N3O2/c1-12-17(22-8-6-19(7-9-22)4-3-5-19)14-10-15(13(2)23)20-11-16(14)21-18(12)24/h10-11H,3-9H2,1-2H3,(H,21,24)
InChIKeyPKCOPJCUYWNCKB-UHFFFAOYSA-N
XLogP3.20
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-4-(7-azaspiro[3.5]nonan-7-yl)-3-methyl-1H-1,7-naphthyridin-2-one?
The IUPAC name of 6-acetyl-4-(7-azaspiro[3.5]nonan-7-yl)-3-methyl-1H-1,7-naphthyridin-2-one (CID 155024133) is 6-acetyl-4-(7-azaspiro[3.5]nonan-7-yl)-3-methyl-1H-1,7-naphthyridin-2-one.
What is the SMILES notation for 6-acetyl-4-(7-azaspiro[3.5]nonan-7-yl)-3-methyl-1H-1,7-naphthyridin-2-one?
The canonical SMILES for 6-acetyl-4-(7-azaspiro[3.5]nonan-7-yl)-3-methyl-1H-1,7-naphthyridin-2-one is CC(=O)c1cc2c(N3CCC4(CCC4)CC3)c(C)c(=O)[nH]c2cn1.
What is the InChIKey of 6-acetyl-4-(7-azaspiro[3.5]nonan-7-yl)-3-methyl-1H-1,7-naphthyridin-2-one?
The InChIKey is PKCOPJCUYWNCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-12-17(22-8-6-19(7-9-22)4-3-5-19)14-10-15(13(2)23)20-11-16(14)21-18(12)24/h10-11H,3-9H2,1-2H3,(H,21,24).
What are the key properties of 6-acetyl-4-(7-azaspiro[3.5]nonan-7-yl)-3-methyl-1H-1,7-naphthyridin-2-one?
6-acetyl-4-(7-azaspiro[3.5]nonan-7-yl)-3-methyl-1H-1,7-naphthyridin-2-one has a molecular weight of 325.41 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-4-(7-azaspiro[3.5]nonan-7-yl)-3-methyl-1H-1,7-naphthyridin-2-one is sourced from PubChem (CID 155024133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).