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

C19H17N3O2 — CID 25218552

IUPACN-(2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
SMILESO=C(Nc1ccccc1O)c1ccc(CNc2ccncc2)cc1
InChIInChI=1S/C19H17N3O2/c23-18-4-2-1-3-17(18)22-19(24)15-7-5-14(6-8-15)13-21-16-9-11-20-12-10-16/h1-12,23H,13H2,(H,20,21)(H,22,24)
InChIKeyWHZJZWJIYKIART-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.65
Rot. Bonds5

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

N-(2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide (PubChem CID 25218552) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
PubChem CID25218552
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-(2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
SMILESO=C(Nc1ccccc1O)c1ccc(CNc2ccncc2)cc1
InChIInChI=1S/C19H17N3O2/c23-18-4-2-1-3-17(18)22-19(24)15-7-5-14(6-8-15)13-21-16-9-11-20-12-10-16/h1-12,23H,13H2,(H,20,21)(H,22,24)
InChIKeyWHZJZWJIYKIART-UHFFFAOYSA-N
XLogP3.65
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.65
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-(2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide?
The IUPAC name of N-(2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide (CID 25218552) is N-(2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide?
The canonical SMILES for N-(2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide is O=C(Nc1ccccc1O)c1ccc(CNc2ccncc2)cc1.
What is the InChIKey of N-(2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide?
The InChIKey is WHZJZWJIYKIART-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-18-4-2-1-3-17(18)22-19(24)15-7-5-14(6-8-15)13-21-16-9-11-20-12-10-16/h1-12,23H,13H2,(H,20,21)(H,22,24).
What are the key properties of N-(2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide?
N-(2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide has a molecular weight of 319.36 g/mol, XLogP of 3.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide is sourced from PubChem (CID 25218552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).