N-[(4-fluorophenyl)methyl]-N-(oxan-2-yloxy)-4-phenylpyridine-2-carboxamide

C24H23FN2O3 — CID 86681822

IUPACN-[(4-fluorophenyl)methyl]-N-(oxan-2-yloxy)-4-phenylpyridine-2-carboxamide
SMILESO=C(c1cc(-c2ccccc2)ccn1)N(Cc1ccc(F)cc1)OC1CCCCO1
InChIInChI=1S/C24H23FN2O3/c25-21-11-9-18(10-12-21)17-27(30-23-8-4-5-15-29-23)24(28)22-16-20(13-14-26-22)19-6-2-1-3-7-19/h1-3,6-7,9-14,16,23H,4-5,8,15,17H2
InChIKeyNBMFBUAWAFTRRQ-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.99
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-N-(oxan-2-yloxy)-4-phenylpyridine-2-carboxamide

N-[(4-fluorophenyl)methyl]-N-(oxan-2-yloxy)-4-phenylpyridine-2-carboxamide (PubChem CID 86681822) has the molecular formula C24H23FN2O3 and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-(oxan-2-yloxy)-4-phenylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-(oxan-2-yloxy)-4-phenylpyridine-2-carboxamide
PubChem CID86681822
Molecular FormulaC24H23FN2O3
Molecular Weight406.46 g/mol
Exact Mass406.17
IUPAC NameN-[(4-fluorophenyl)methyl]-N-(oxan-2-yloxy)-4-phenylpyridine-2-carboxamide
SMILESO=C(c1cc(-c2ccccc2)ccn1)N(Cc1ccc(F)cc1)OC1CCCCO1
InChIInChI=1S/C24H23FN2O3/c25-21-11-9-18(10-12-21)17-27(30-23-8-4-5-15-29-23)24(28)22-16-20(13-14-26-22)19-6-2-1-3-7-19/h1-3,6-7,9-14,16,23H,4-5,8,15,17H2
InChIKeyNBMFBUAWAFTRRQ-UHFFFAOYSA-N
XLogP4.99
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-(oxan-2-yloxy)-4-phenylpyridine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-(oxan-2-yloxy)-4-phenylpyridine-2-carboxamide (CID 86681822) is N-[(4-fluorophenyl)methyl]-N-(oxan-2-yloxy)-4-phenylpyridine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-(oxan-2-yloxy)-4-phenylpyridine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-(oxan-2-yloxy)-4-phenylpyridine-2-carboxamide is O=C(c1cc(-c2ccccc2)ccn1)N(Cc1ccc(F)cc1)OC1CCCCO1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-(oxan-2-yloxy)-4-phenylpyridine-2-carboxamide?
The InChIKey is NBMFBUAWAFTRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O3/c25-21-11-9-18(10-12-21)17-27(30-23-8-4-5-15-29-23)24(28)22-16-20(13-14-26-22)19-6-2-1-3-7-19/h1-3,6-7,9-14,16,23H,4-5,8,15,17H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-(oxan-2-yloxy)-4-phenylpyridine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-N-(oxan-2-yloxy)-4-phenylpyridine-2-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-(oxan-2-yloxy)-4-phenylpyridine-2-carboxamide is sourced from PubChem (CID 86681822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).