cyclopropyl 6-[1-[2-(4-chlorophenyl)acetyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate

C24H25ClN2O3 — CID 159733918

IUPACcyclopropyl 6-[1-[2-(4-chlorophenyl)acetyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
SMILESO=C(OC1CC1)N1CCCc2nc(C3(C(=O)Cc4ccc(Cl)cc4)CCC3)ccc21
InChIInChI=1S/C24H25ClN2O3/c25-17-6-4-16(5-7-17)15-22(28)24(12-2-13-24)21-11-10-20-19(26-21)3-1-14-27(20)23(29)30-18-8-9-18/h4-7,10-11,18H,1-3,8-9,12-15H2
InChIKeyNBPAIPLYDXYDSI-UHFFFAOYSA-N
MW424.93 g/mol
LogP5.02
Rot. Bonds5

About cyclopropyl 6-[1-[2-(4-chlorophenyl)acetyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate

cyclopropyl 6-[1-[2-(4-chlorophenyl)acetyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate (PubChem CID 159733918) has the molecular formula C24H25ClN2O3 and a molecular weight of 424.93 g/mol. Its IUPAC name is cyclopropyl 6-[1-[2-(4-chlorophenyl)acetyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate.

Molecular Properties

Compound Namecyclopropyl 6-[1-[2-(4-chlorophenyl)acetyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
PubChem CID159733918
Molecular FormulaC24H25ClN2O3
Molecular Weight424.93 g/mol
Exact Mass424.16
IUPAC Namecyclopropyl 6-[1-[2-(4-chlorophenyl)acetyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
SMILESO=C(OC1CC1)N1CCCc2nc(C3(C(=O)Cc4ccc(Cl)cc4)CCC3)ccc21
InChIInChI=1S/C24H25ClN2O3/c25-17-6-4-16(5-7-17)15-22(28)24(12-2-13-24)21-11-10-20-19(26-21)3-1-14-27(20)23(29)30-18-8-9-18/h4-7,10-11,18H,1-3,8-9,12-15H2
InChIKeyNBPAIPLYDXYDSI-UHFFFAOYSA-N
XLogP5.02
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.93
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclopropyl 6-[1-[2-(4-chlorophenyl)acetyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate with MolForge

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Related Compounds

cyclopropyl 6-[3-[2-(4-chlorophenyl)acetyl]oxetan-3-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 161490838
cyclopropyl 6-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 142580380
2-(4-chlorophenyl)-1-[3-[5-(4-methylpyrimidine-2-carbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]oxetan-3-yl]ethanone
CID 159728567
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl]cyclobutane-1-carboxylic acid
CID 155093194
N-(4-chlorophenyl)-1-[5-[6-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutane-1-carboxamide
CID 155093046
cyclopropyl 6-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 164830709
tert-butyl 6-[4-(4-fluorophenyl)-2-methyl-3-oxobutan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 159885373
3-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1-(4-fluorophenyl)-4-methylpentan-2-one;1-[3,3-difluoro-1-[5-(6-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutyl]-2-(4-fluorophenyl)ethanone;1-[2,2-difluoro-1-[5-(6-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]-2-(4-fluorophenyl)ethanone;methane
CID 159157961
6-(1-cyano-3-phenylmethoxycyclobutyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid
CID 155093238
N-(4-fluorophenyl)-5-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]spiro[2.3]hexane-5-carboxamide
CID 142580291
2-(4-chlorophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 91626255
2-(4-chlorophenyl)-1-cyclobutylethanone
CID 61077692

Frequently Asked Questions

What is the IUPAC name of cyclopropyl 6-[1-[2-(4-chlorophenyl)acetyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The IUPAC name of cyclopropyl 6-[1-[2-(4-chlorophenyl)acetyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate (CID 159733918) is cyclopropyl 6-[1-[2-(4-chlorophenyl)acetyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate.
What is the SMILES notation for cyclopropyl 6-[1-[2-(4-chlorophenyl)acetyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The canonical SMILES for cyclopropyl 6-[1-[2-(4-chlorophenyl)acetyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate is O=C(OC1CC1)N1CCCc2nc(C3(C(=O)Cc4ccc(Cl)cc4)CCC3)ccc21.
What is the InChIKey of cyclopropyl 6-[1-[2-(4-chlorophenyl)acetyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The InChIKey is NBPAIPLYDXYDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3/c25-17-6-4-16(5-7-17)15-22(28)24(12-2-13-24)21-11-10-20-19(26-21)3-1-14-27(20)23(29)30-18-8-9-18/h4-7,10-11,18H,1-3,8-9,12-15H2.
What are the key properties of cyclopropyl 6-[1-[2-(4-chlorophenyl)acetyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
cyclopropyl 6-[1-[2-(4-chlorophenyl)acetyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate has a molecular weight of 424.93 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl 6-[1-[2-(4-chlorophenyl)acetyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate is sourced from PubChem (CID 159733918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).