N-[(4-fluorophenyl)methyl]-3-(methoxymethoxy)-2-phenylmethoxypyridine-4-carboxamide

C22H21FN2O4 — CID 69476732

IUPACN-[(4-fluorophenyl)methyl]-3-(methoxymethoxy)-2-phenylmethoxypyridine-4-carboxamide
SMILESCOCOc1c(C(=O)NCc2ccc(F)cc2)ccnc1OCc1ccccc1
InChIInChI=1S/C22H21FN2O4/c1-27-15-29-20-19(21(26)25-13-16-7-9-18(23)10-8-16)11-12-24-22(20)28-14-17-5-3-2-4-6-17/h2-12H,13-15H2,1H3,(H,25,26)
InChIKeyRXZYNEOPPKESLQ-UHFFFAOYSA-N
MW396.42 g/mol
LogP3.71
Rot. Bonds9

About N-[(4-fluorophenyl)methyl]-3-(methoxymethoxy)-2-phenylmethoxypyridine-4-carboxamide

N-[(4-fluorophenyl)methyl]-3-(methoxymethoxy)-2-phenylmethoxypyridine-4-carboxamide (PubChem CID 69476732) has the molecular formula C22H21FN2O4 and a molecular weight of 396.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(methoxymethoxy)-2-phenylmethoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(methoxymethoxy)-2-phenylmethoxypyridine-4-carboxamide
PubChem CID69476732
Molecular FormulaC22H21FN2O4
Molecular Weight396.42 g/mol
Exact Mass396.15
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(methoxymethoxy)-2-phenylmethoxypyridine-4-carboxamide
SMILESCOCOc1c(C(=O)NCc2ccc(F)cc2)ccnc1OCc1ccccc1
InChIInChI=1S/C22H21FN2O4/c1-27-15-29-20-19(21(26)25-13-16-7-9-18(23)10-8-16)11-12-24-22(20)28-14-17-5-3-2-4-6-17/h2-12H,13-15H2,1H3,(H,25,26)
InChIKeyRXZYNEOPPKESLQ-UHFFFAOYSA-N
XLogP3.71
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-phenylmethoxyquinoline-4-carboxamide
CID 22578001
5-N-[(4-fluorophenyl)methyl]-3-methoxy-2-N-methyl-4-phenylmethoxypyridine-2,5-dicarboxamide
CID 71482107
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913
N-[(4-fluorophenyl)methyl]-2,3-dimethylpyridine-4-carboxamide
CID 110851337
2-[(4-fluorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
CID 8851794
5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid
CID 59600570
N-benzyl-2-[2-[(4-fluorophenyl)methylamino]-2-oxoethoxy]benzamide
CID 7981561
N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxamide
CID 59600586
2-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 46586786
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807
methyl 4-[[2-(benzylcarbamoyl)phenoxy]methyl]benzoate
CID 7981645
methyl 1-amino-6-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-5-phenylmethoxypyridine-3-carboxylate
CID 130410779

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-(methoxymethoxy)-2-phenylmethoxypyridine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(methoxymethoxy)-2-phenylmethoxypyridine-4-carboxamide (CID 69476732) is N-[(4-fluorophenyl)methyl]-3-(methoxymethoxy)-2-phenylmethoxypyridine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(methoxymethoxy)-2-phenylmethoxypyridine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(methoxymethoxy)-2-phenylmethoxypyridine-4-carboxamide is COCOc1c(C(=O)NCc2ccc(F)cc2)ccnc1OCc1ccccc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(methoxymethoxy)-2-phenylmethoxypyridine-4-carboxamide?
The InChIKey is RXZYNEOPPKESLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O4/c1-27-15-29-20-19(21(26)25-13-16-7-9-18(23)10-8-16)11-12-24-22(20)28-14-17-5-3-2-4-6-17/h2-12H,13-15H2,1H3,(H,25,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(methoxymethoxy)-2-phenylmethoxypyridine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-3-(methoxymethoxy)-2-phenylmethoxypyridine-4-carboxamide has a molecular weight of 396.42 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-(methoxymethoxy)-2-phenylmethoxypyridine-4-carboxamide is sourced from PubChem (CID 69476732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).