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

C19H16ClN3O2 — CID 25218549

IUPACN-(5-chloro-2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1ccc(CNc2ccncc2)cc1
InChIInChI=1S/C19H16ClN3O2/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)
InChIKeyIXKFGKFMWMWETP-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.30
Rot. Bonds5

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

N-(5-chloro-2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide (PubChem CID 25218549) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
PubChem CID25218549
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1ccc(CNc2ccncc2)cc1
InChIInChI=1S/C19H16ClN3O2/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)
InChIKeyIXKFGKFMWMWETP-UHFFFAOYSA-N
XLogP4.30
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(5-chloro-2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide (CID 25218549) is N-(5-chloro-2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide is O=C(Nc1cc(Cl)ccc1O)c1ccc(CNc2ccncc2)cc1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide?
The InChIKey is IXKFGKFMWMWETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/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-chloro-2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide?
N-(5-chloro-2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide has a molecular weight of 353.81 g/mol, XLogP of 4.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide is sourced from PubChem (CID 25218549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).