7-butyl-4-[6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-1-azabicyclo[4.2.0]octa-2,4,6-trien-8-one

C24H28N4O2 — CID 166886374

IUPAC7-butyl-4-[6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-1-azabicyclo[4.2.0]octa-2,4,6-trien-8-one
SMILESCCCCC1=C2C=C(N3CCCc4cc(C(=O)N5CCCC5)cnc43)C=CN2C1=O
InChIInChI=1S/C24H28N4O2/c1-2-3-8-20-21-15-19(9-13-28(21)24(20)30)27-12-6-7-17-14-18(16-25-22(17)27)23(29)26-10-4-5-11-26/h9,13-16H,2-8,10-12H2,1H3
InChIKeyKSBSACNXPDPVCK-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.77
Rot. Bonds5

About 7-butyl-4-[6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-1-azabicyclo[4.2.0]octa-2,4,6-trien-8-one

7-butyl-4-[6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-1-azabicyclo[4.2.0]octa-2,4,6-trien-8-one (PubChem CID 166886374) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 7-butyl-4-[6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-1-azabicyclo[4.2.0]octa-2,4,6-trien-8-one.

Molecular Properties

Compound Name7-butyl-4-[6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-1-azabicyclo[4.2.0]octa-2,4,6-trien-8-one
PubChem CID166886374
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name7-butyl-4-[6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-1-azabicyclo[4.2.0]octa-2,4,6-trien-8-one
SMILESCCCCC1=C2C=C(N3CCCc4cc(C(=O)N5CCCC5)cnc43)C=CN2C1=O
InChIInChI=1S/C24H28N4O2/c1-2-3-8-20-21-15-19(9-13-28(21)24(20)30)27-12-6-7-17-14-18(16-25-22(17)27)23(29)26-10-4-5-11-26/h9,13-16H,2-8,10-12H2,1H3
InChIKeyKSBSACNXPDPVCK-UHFFFAOYSA-N
XLogP3.77
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-butyl-4-[6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-1-azabicyclo[4.2.0]octa-2,4,6-trien-8-one with MolForge

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Related Compounds

1-[2-amino-4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2H-pyridin-1-yl]-2-cyclopropylethanone
CID 166886381
[8-(3-ethyl-4-methylcyclohexa-1,3-dien-1-yl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone
CID 166887012
4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid
CID 154994854
[8-(4-methoxyphenyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone
CID 154994822
6-methyl-3-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyridin-7-one
CID 167390377
2-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid
CID 154994962
4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzenecarboximidamide
CID 166886356
1-[2-imino-4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-1-pyridinyl]-2-methylidenebutan-1-one
CID 166886748
2-(2-ethoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3H-isoindol-1-one
CID 154994948
2-(2-ethoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one
CID 166887007
2-(2-methoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one
CID 166886458
2-[2-(oxetan-3-yl)ethyl]-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one
CID 166887023

Frequently Asked Questions

What is the IUPAC name of 7-butyl-4-[6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-1-azabicyclo[4.2.0]octa-2,4,6-trien-8-one?
The IUPAC name of 7-butyl-4-[6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-1-azabicyclo[4.2.0]octa-2,4,6-trien-8-one (CID 166886374) is 7-butyl-4-[6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-1-azabicyclo[4.2.0]octa-2,4,6-trien-8-one.
What is the SMILES notation for 7-butyl-4-[6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-1-azabicyclo[4.2.0]octa-2,4,6-trien-8-one?
The canonical SMILES for 7-butyl-4-[6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-1-azabicyclo[4.2.0]octa-2,4,6-trien-8-one is CCCCC1=C2C=C(N3CCCc4cc(C(=O)N5CCCC5)cnc43)C=CN2C1=O.
What is the InChIKey of 7-butyl-4-[6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-1-azabicyclo[4.2.0]octa-2,4,6-trien-8-one?
The InChIKey is KSBSACNXPDPVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-2-3-8-20-21-15-19(9-13-28(21)24(20)30)27-12-6-7-17-14-18(16-25-22(17)27)23(29)26-10-4-5-11-26/h9,13-16H,2-8,10-12H2,1H3.
What are the key properties of 7-butyl-4-[6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-1-azabicyclo[4.2.0]octa-2,4,6-trien-8-one?
7-butyl-4-[6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-1-azabicyclo[4.2.0]octa-2,4,6-trien-8-one has a molecular weight of 404.51 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-4-[6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-1-azabicyclo[4.2.0]octa-2,4,6-trien-8-one is sourced from PubChem (CID 166886374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).