cyclobutyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate

C22H24FN3O3 — CID 162661919

IUPACcyclobutyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
SMILESC[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)OC1CCC1
InChIInChI=1S/C22H24FN3O3/c1-14(24-21(27)15-7-9-16(23)10-8-15)18-11-12-20-19(25-18)6-3-13-26(20)22(28)29-17-4-2-5-17/h7-12,14,17H,2-6,13H2,1H3,(H,24,27)/t14-/m1/s1
InChIKeyMFDDBZXAAAUINB-CQSZACIVSA-N
MW397.45 g/mol
LogP4.15
Rot. Bonds4

About cyclobutyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate

cyclobutyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate (PubChem CID 162661919) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is cyclobutyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate.

Molecular Properties

Compound Namecyclobutyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
PubChem CID162661919
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Namecyclobutyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
SMILESC[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)OC1CCC1
InChIInChI=1S/C22H24FN3O3/c1-14(24-21(27)15-7-9-16(23)10-8-15)18-11-12-20-19(25-18)6-3-13-26(20)22(28)29-17-4-2-5-17/h7-12,14,17H,2-6,13H2,1H3,(H,24,27)/t14-/m1/s1
InChIKeyMFDDBZXAAAUINB-CQSZACIVSA-N
XLogP4.15
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cyclobutyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclobutyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The IUPAC name of cyclobutyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate (CID 162661919) is cyclobutyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate.
What is the SMILES notation for cyclobutyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The canonical SMILES for cyclobutyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate is C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)OC1CCC1.
What is the InChIKey of cyclobutyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The InChIKey is MFDDBZXAAAUINB-CQSZACIVSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-14(24-21(27)15-7-9-16(23)10-8-15)18-11-12-20-19(25-18)6-3-13-26(20)22(28)29-17-4-2-5-17/h7-12,14,17H,2-6,13H2,1H3,(H,24,27)/t14-/m1/s1.
What are the key properties of cyclobutyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
cyclobutyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate has a molecular weight of 397.45 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate is sourced from PubChem (CID 162661919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).