N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

C22H22FN3O2 — CID 7620714

IUPACN-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C22H22FN3O2/c23-17-10-8-15(9-11-17)14-26-20-16(5-4-12-24-20)13-19(22(26)28)21(27)25-18-6-2-1-3-7-18/h4-5,8-13,18H,1-3,6-7,14H2,(H,25,27)
InChIKeyLFNQTZRVNLJMDU-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.65
Rot. Bonds4

About N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 7620714) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID7620714
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC NameN-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C22H22FN3O2/c23-17-10-8-15(9-11-17)14-26-20-16(5-4-12-24-20)13-19(22(26)28)21(27)25-18-6-2-1-3-7-18/h4-5,8-13,18H,1-3,6-7,14H2,(H,25,27)
InChIKeyLFNQTZRVNLJMDU-UHFFFAOYSA-N
XLogP3.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 7620714) is N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is O=C(NC1CCCCC1)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is LFNQTZRVNLJMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c23-17-10-8-15(9-11-17)14-26-20-16(5-4-12-24-20)13-19(22(26)28)21(27)25-18-6-2-1-3-7-18/h4-5,8-13,18H,1-3,6-7,14H2,(H,25,27).
What are the key properties of N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 7620714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).