[1-[(4-fluorophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]methylcarbamic acid

C17H16FN3O3 — CID 69398927

IUPAC[1-[(4-fluorophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]methylcarbamic acid
SMILESO=C(O)NCC1Cc2cccnc2N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C17H16FN3O3/c18-14-5-3-11(4-6-14)10-21-15-12(2-1-7-19-15)8-13(16(21)22)9-20-17(23)24/h1-7,13,20H,8-10H2,(H,23,24)
InChIKeyCBDMXZZGIUYYOD-UHFFFAOYSA-N
MW329.33 g/mol
LogP2.19
Rot. Bonds4

About [1-[(4-fluorophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]methylcarbamic acid

[1-[(4-fluorophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]methylcarbamic acid (PubChem CID 69398927) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is [1-[(4-fluorophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]methylcarbamic acid.

Molecular Properties

Compound Name[1-[(4-fluorophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]methylcarbamic acid
PubChem CID69398927
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Name[1-[(4-fluorophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]methylcarbamic acid
SMILESO=C(O)NCC1Cc2cccnc2N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C17H16FN3O3/c18-14-5-3-11(4-6-14)10-21-15-12(2-1-7-19-15)8-13(16(21)22)9-20-17(23)24/h1-7,13,20H,8-10H2,(H,23,24)
InChIKeyCBDMXZZGIUYYOD-UHFFFAOYSA-N
XLogP2.19
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]methylcarbamic acid?
The IUPAC name of [1-[(4-fluorophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]methylcarbamic acid (CID 69398927) is [1-[(4-fluorophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]methylcarbamic acid.
What is the SMILES notation for [1-[(4-fluorophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]methylcarbamic acid?
The canonical SMILES for [1-[(4-fluorophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]methylcarbamic acid is O=C(O)NCC1Cc2cccnc2N(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of [1-[(4-fluorophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]methylcarbamic acid?
The InChIKey is CBDMXZZGIUYYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3/c18-14-5-3-11(4-6-14)10-21-15-12(2-1-7-19-15)8-13(16(21)22)9-20-17(23)24/h1-7,13,20H,8-10H2,(H,23,24).
What are the key properties of [1-[(4-fluorophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]methylcarbamic acid?
[1-[(4-fluorophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]methylcarbamic acid has a molecular weight of 329.33 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluorophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]methylcarbamic acid is sourced from PubChem (CID 69398927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).