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

C21H22FN3O4 — CID 162656671

IUPACoxetan-3-yl 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)OC1COC1
InChIInChI=1S/C21H22FN3O4/c1-13(23-20(26)14-4-6-15(22)7-5-14)17-8-9-19-18(24-17)3-2-10-25(19)21(27)29-16-11-28-12-16/h4-9,13,16H,2-3,10-12H2,1H3,(H,23,26)/t13-/m1/s1
InChIKeyRLPCUKIKBPCMNX-CYBMUJFWSA-N
MW399.42 g/mol
LogP3.00
Rot. Bonds4

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

oxetan-3-yl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate (PubChem CID 162656671) has the molecular formula C21H22FN3O4 and a molecular weight of 399.42 g/mol. Its IUPAC name is oxetan-3-yl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate.

Molecular Properties

Compound Nameoxetan-3-yl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
PubChem CID162656671
Molecular FormulaC21H22FN3O4
Molecular Weight399.42 g/mol
Exact Mass399.16
IUPAC Nameoxetan-3-yl 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)OC1COC1
InChIInChI=1S/C21H22FN3O4/c1-13(23-20(26)14-4-6-15(22)7-5-14)17-8-9-19-18(24-17)3-2-10-25(19)21(27)29-16-11-28-12-16/h4-9,13,16H,2-3,10-12H2,1H3,(H,23,26)/t13-/m1/s1
InChIKeyRLPCUKIKBPCMNX-CYBMUJFWSA-N
XLogP3.00
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of oxetan-3-yl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The IUPAC name of oxetan-3-yl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate (CID 162656671) is oxetan-3-yl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate.
What is the SMILES notation for oxetan-3-yl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The canonical SMILES for oxetan-3-yl 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)OC1COC1.
What is the InChIKey of oxetan-3-yl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The InChIKey is RLPCUKIKBPCMNX-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H22FN3O4/c1-13(23-20(26)14-4-6-15(22)7-5-14)17-8-9-19-18(24-17)3-2-10-25(19)21(27)29-16-11-28-12-16/h4-9,13,16H,2-3,10-12H2,1H3,(H,23,26)/t13-/m1/s1.
What are the key properties of oxetan-3-yl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
oxetan-3-yl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate has a molecular weight of 399.42 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-yl 6-[(1R)-1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate is sourced from PubChem (CID 162656671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).