N-[(4-fluorophenyl)methyl]-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide

C20H17FN2O3 — CID 42442302

IUPACN-[(4-fluorophenyl)methyl]-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(=O)c(OCc2ccccc2)c[nH]1
InChIInChI=1S/C20H17FN2O3/c21-16-8-6-14(7-9-16)11-23-20(25)17-10-18(24)19(12-22-17)26-13-15-4-2-1-3-5-15/h1-10,12H,11,13H2,(H,22,24)(H,23,25)
InChIKeyIIIZHRPWQUVAPE-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.02
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide

N-[(4-fluorophenyl)methyl]-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide (PubChem CID 42442302) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide
PubChem CID42442302
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC NameN-[(4-fluorophenyl)methyl]-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(=O)c(OCc2ccccc2)c[nH]1
InChIInChI=1S/C20H17FN2O3/c21-16-8-6-14(7-9-16)11-23-20(25)17-10-18(24)19(12-22-17)26-13-15-4-2-1-3-5-15/h1-10,12H,11,13H2,(H,22,24)(H,23,25)
InChIKeyIIIZHRPWQUVAPE-UHFFFAOYSA-N
XLogP3.02
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide (CID 42442302) is N-[(4-fluorophenyl)methyl]-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide is O=C(NCc1ccc(F)cc1)c1cc(=O)c(OCc2ccccc2)c[nH]1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide?
The InChIKey is IIIZHRPWQUVAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3/c21-16-8-6-14(7-9-16)11-23-20(25)17-10-18(24)19(12-22-17)26-13-15-4-2-1-3-5-15/h1-10,12H,11,13H2,(H,22,24)(H,23,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide has a molecular weight of 352.37 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide is sourced from PubChem (CID 42442302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).