N-(5-fluoro-2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide

C19H16FN3O2 — CID 25218550

IUPACN-(5-fluoro-2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
SMILESO=C(Nc1cc(F)ccc1O)c1ccc(CNc2ccncc2)cc1
InChIInChI=1S/C19H16FN3O2/c20-15-5-6-18(24)17(11-15)23-19(25)14-3-1-13(2-4-14)12-22-16-7-9-21-10-8-16/h1-11,24H,12H2,(H,21,22)(H,23,25)
InChIKeyPNUKOPQWBFRNSA-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.79
Rot. Bonds5

About N-(5-fluoro-2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide

N-(5-fluoro-2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide (PubChem CID 25218550) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is N-(5-fluoro-2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(5-fluoro-2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
PubChem CID25218550
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC NameN-(5-fluoro-2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
SMILESO=C(Nc1cc(F)ccc1O)c1ccc(CNc2ccncc2)cc1
InChIInChI=1S/C19H16FN3O2/c20-15-5-6-18(24)17(11-15)23-19(25)14-3-1-13(2-4-14)12-22-16-7-9-21-10-8-16/h1-11,24H,12H2,(H,21,22)(H,23,25)
InChIKeyPNUKOPQWBFRNSA-UHFFFAOYSA-N
XLogP3.79
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide?
The IUPAC name of N-(5-fluoro-2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide (CID 25218550) is N-(5-fluoro-2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide.
What is the SMILES notation for N-(5-fluoro-2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide?
The canonical SMILES for N-(5-fluoro-2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide is O=C(Nc1cc(F)ccc1O)c1ccc(CNc2ccncc2)cc1.
What is the InChIKey of N-(5-fluoro-2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide?
The InChIKey is PNUKOPQWBFRNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c20-15-5-6-18(24)17(11-15)23-19(25)14-3-1-13(2-4-14)12-22-16-7-9-21-10-8-16/h1-11,24H,12H2,(H,21,22)(H,23,25).
What are the key properties of N-(5-fluoro-2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide?
N-(5-fluoro-2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide has a molecular weight of 337.35 g/mol, XLogP of 3.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide is sourced from PubChem (CID 25218550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).