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

C28H32FN3O2 — CID 43996135

IUPACN,N-dicyclohexyl-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(c1cc2cccnc2n(Cc2ccccc2F)c1=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C28H32FN3O2/c29-25-16-8-7-10-21(25)19-31-26-20(11-9-17-30-26)18-24(27(31)33)28(34)32(22-12-3-1-4-13-22)23-14-5-2-6-15-23/h7-11,16-18,22-23H,1-6,12-15,19H2
InChIKeyJGULCUCQSBKMRQ-UHFFFAOYSA-N
MW461.58 g/mol
LogP5.69
Rot. Bonds5

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

N,N-dicyclohexyl-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 43996135) has the molecular formula C28H32FN3O2 and a molecular weight of 461.58 g/mol. Its IUPAC name is N,N-dicyclohexyl-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID43996135
Molecular FormulaC28H32FN3O2
Molecular Weight461.58 g/mol
Exact Mass461.25
IUPAC NameN,N-dicyclohexyl-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(c1cc2cccnc2n(Cc2ccccc2F)c1=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C28H32FN3O2/c29-25-16-8-7-10-21(25)19-31-26-20(11-9-17-30-26)18-24(27(31)33)28(34)32(22-12-3-1-4-13-22)23-14-5-2-6-15-23/h7-11,16-18,22-23H,1-6,12-15,19H2
InChIKeyJGULCUCQSBKMRQ-UHFFFAOYSA-N
XLogP5.69
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.58
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-fluorophenyl)methyl]-2-oxo-N,N-di(propan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 7620857
N-ethyl-1-[(2-fluorophenyl)methyl]-2-oxo-N-phenyl-1,8-naphthyridine-3-carboxamide
CID 43996164
1-[(2-fluorophenyl)methyl]-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620975
1-[(2-fluorophenyl)methyl]-N-[(1R,2R)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620974
N-benzyl-1-[(2-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 43996136
N-(2-cyanoethyl)-1-[(2-fluorophenyl)methyl]-N-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620906
3-(4-benzylpiperidine-1-carbonyl)-1-[(2-fluorophenyl)methyl]-1,8-naphthyridin-2-one
CID 43996144
1-[(2-fluorophenyl)methyl]-3-(morpholine-4-carbonyl)-1,8-naphthyridin-2-one
CID 7620895
1-[(2-fluorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)-1,8-naphthyridin-2-one
CID 7620901
N-cyclohexyl-N-ethyl-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620356
1-[(2-fluorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996215
1-[(2-fluorophenyl)methyl]-N-(4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621018

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N,N-dicyclohexyl-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 43996135) is N,N-dicyclohexyl-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N,N-dicyclohexyl-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N,N-dicyclohexyl-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is O=C(c1cc2cccnc2n(Cc2ccccc2F)c1=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is JGULCUCQSBKMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN3O2/c29-25-16-8-7-10-21(25)19-31-26-20(11-9-17-30-26)18-24(27(31)33)28(34)32(22-12-3-1-4-13-22)23-14-5-2-6-15-23/h7-11,16-18,22-23H,1-6,12-15,19H2.
What are the key properties of N,N-dicyclohexyl-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
N,N-dicyclohexyl-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 461.58 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 43996135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).