methyl 1-amino-6-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-5-phenylmethoxypyridine-3-carboxylate

C22H20FN3O5 — CID 130410779

IUPACmethyl 1-amino-6-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-5-phenylmethoxypyridine-3-carboxylate
SMILESCOC(=O)c1cn(N)c(C(=O)NCc2ccc(F)cc2)c(OCc2ccccc2)c1=O
InChIInChI=1S/C22H20FN3O5/c1-30-22(29)17-12-26(24)18(21(28)25-11-14-7-9-16(23)10-8-14)20(19(17)27)31-13-15-5-3-2-4-6-15/h2-10,12H,11,13,24H2,1H3,(H,25,28)
InChIKeyKFMQOVKJGAKKLA-UHFFFAOYSA-N
MW425.42 g/mol
LogP2.00
Rot. Bonds7

About methyl 1-amino-6-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-5-phenylmethoxypyridine-3-carboxylate

methyl 1-amino-6-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-5-phenylmethoxypyridine-3-carboxylate (PubChem CID 130410779) has the molecular formula C22H20FN3O5 and a molecular weight of 425.42 g/mol. Its IUPAC name is methyl 1-amino-6-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-5-phenylmethoxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-6-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-5-phenylmethoxypyridine-3-carboxylate
PubChem CID130410779
Molecular FormulaC22H20FN3O5
Molecular Weight425.42 g/mol
Exact Mass425.14
IUPAC Namemethyl 1-amino-6-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-5-phenylmethoxypyridine-3-carboxylate
SMILESCOC(=O)c1cn(N)c(C(=O)NCc2ccc(F)cc2)c(OCc2ccccc2)c1=O
InChIInChI=1S/C22H20FN3O5/c1-30-22(29)17-12-26(24)18(21(28)25-11-14-7-9-16(23)10-8-14)20(19(17)27)31-13-15-5-3-2-4-6-15/h2-10,12H,11,13,24H2,1H3,(H,25,28)
InChIKeyKFMQOVKJGAKKLA-UHFFFAOYSA-N
XLogP2.00
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 1-amino-6-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-5-phenylmethoxypyridine-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2-carboxylic acid
CID 152765811
methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-1-ethyl-4-oxo-3-phenylmethoxypyridine-2-carboxylate
CID 145339515
5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid
CID 59600570
N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxamide
CID 59600586
N-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-propan-2-ylpyrido[1,2-a]pyrazine-7-carboxamide
CID 67329269
methyl 5-[3-(4-fluorophenyl)propanoyl]-4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2-carboxylate
CID 157330935
N,2-bis[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxamide
CID 68677998
methyl 1-(but-3-en-2-ylamino)-5-[(2,4-difluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxypyridine-2-carboxylate
CID 164590656
methyl 5-carbamoyl-4-oxo-1-(2-oxopropyl)-3-phenylmethoxypyridine-2-carboxylate
CID 130400183
5-N-[(4-fluorophenyl)methyl]-3-methoxy-2-N-methyl-4-phenylmethoxypyridine-2,5-dicarboxamide
CID 71482107
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807
N-[(4-fluorophenyl)methyl]-1,8-dioxo-2-(2-phenoxyethyl)-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxamide
CID 67310299

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-6-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-5-phenylmethoxypyridine-3-carboxylate?
The IUPAC name of methyl 1-amino-6-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-5-phenylmethoxypyridine-3-carboxylate (CID 130410779) is methyl 1-amino-6-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-5-phenylmethoxypyridine-3-carboxylate.
What is the SMILES notation for methyl 1-amino-6-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-5-phenylmethoxypyridine-3-carboxylate?
The canonical SMILES for methyl 1-amino-6-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-5-phenylmethoxypyridine-3-carboxylate is COC(=O)c1cn(N)c(C(=O)NCc2ccc(F)cc2)c(OCc2ccccc2)c1=O.
What is the InChIKey of methyl 1-amino-6-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-5-phenylmethoxypyridine-3-carboxylate?
The InChIKey is KFMQOVKJGAKKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O5/c1-30-22(29)17-12-26(24)18(21(28)25-11-14-7-9-16(23)10-8-14)20(19(17)27)31-13-15-5-3-2-4-6-15/h2-10,12H,11,13,24H2,1H3,(H,25,28).
What are the key properties of methyl 1-amino-6-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-5-phenylmethoxypyridine-3-carboxylate?
methyl 1-amino-6-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-5-phenylmethoxypyridine-3-carboxylate has a molecular weight of 425.42 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-6-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-5-phenylmethoxypyridine-3-carboxylate is sourced from PubChem (CID 130410779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).