N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxamide

C22H21FN2O4 — CID 68931952

IUPACN-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxamide
SMILESO=C(c1[nH]ccc(=O)c1OCc1ccccc1)N(CCO)Cc1ccc(F)cc1
InChIInChI=1S/C22H21FN2O4/c23-18-8-6-16(7-9-18)14-25(12-13-26)22(28)20-21(19(27)10-11-24-20)29-15-17-4-2-1-3-5-17/h1-11,26H,12-15H2,(H,24,27)
InChIKeyOLWLDJLCNQLSQP-UHFFFAOYSA-N
MW396.42 g/mol
LogP2.73
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxamide

N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxamide (PubChem CID 68931952) has the molecular formula C22H21FN2O4 and a molecular weight of 396.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxamide
PubChem CID68931952
Molecular FormulaC22H21FN2O4
Molecular Weight396.42 g/mol
Exact Mass396.15
IUPAC NameN-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxamide
SMILESO=C(c1[nH]ccc(=O)c1OCc1ccccc1)N(CCO)Cc1ccc(F)cc1
InChIInChI=1S/C22H21FN2O4/c23-18-8-6-16(7-9-18)14-25(12-13-26)22(28)20-21(19(27)10-11-24-20)29-15-17-4-2-1-3-5-17/h1-11,26H,12-15H2,(H,24,27)
InChIKeyOLWLDJLCNQLSQP-UHFFFAOYSA-N
XLogP2.73
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxamide (CID 68931952) is N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxamide is O=C(c1[nH]ccc(=O)c1OCc1ccccc1)N(CCO)Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxamide?
The InChIKey is OLWLDJLCNQLSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O4/c23-18-8-6-16(7-9-18)14-25(12-13-26)22(28)20-21(19(27)10-11-24-20)29-15-17-4-2-1-3-5-17/h1-11,26H,12-15H2,(H,24,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxamide has a molecular weight of 396.42 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxamide is sourced from PubChem (CID 68931952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).