N-(2-hydroxy-5-methylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide

C20H19N3O2 — CID 25218548

IUPACN-(2-hydroxy-5-methylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
SMILESCc1ccc(O)c(NC(=O)c2ccc(CNc3ccncc3)cc2)c1
InChIInChI=1S/C20H19N3O2/c1-14-2-7-19(24)18(12-14)23-20(25)16-5-3-15(4-6-16)13-22-17-8-10-21-11-9-17/h2-12,24H,13H2,1H3,(H,21,22)(H,23,25)
InChIKeyKGOACMJDNWPVHK-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.96
Rot. Bonds5

About N-(2-hydroxy-5-methylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide

N-(2-hydroxy-5-methylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide (PubChem CID 25218548) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(2-hydroxy-5-methylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
PubChem CID25218548
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-(2-hydroxy-5-methylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
SMILESCc1ccc(O)c(NC(=O)c2ccc(CNc3ccncc3)cc2)c1
InChIInChI=1S/C20H19N3O2/c1-14-2-7-19(24)18(12-14)23-20(25)16-5-3-15(4-6-16)13-22-17-8-10-21-11-9-17/h2-12,24H,13H2,1H3,(H,21,22)(H,23,25)
InChIKeyKGOACMJDNWPVHK-UHFFFAOYSA-N
XLogP3.96
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.96
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-hydroxy-5-methylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide?
The IUPAC name of N-(2-hydroxy-5-methylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide (CID 25218548) is N-(2-hydroxy-5-methylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide.
What is the SMILES notation for N-(2-hydroxy-5-methylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide?
The canonical SMILES for N-(2-hydroxy-5-methylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide is Cc1ccc(O)c(NC(=O)c2ccc(CNc3ccncc3)cc2)c1.
What is the InChIKey of N-(2-hydroxy-5-methylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide?
The InChIKey is KGOACMJDNWPVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14-2-7-19(24)18(12-14)23-20(25)16-5-3-15(4-6-16)13-22-17-8-10-21-11-9-17/h2-12,24H,13H2,1H3,(H,21,22)(H,23,25).
What are the key properties of N-(2-hydroxy-5-methylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide?
N-(2-hydroxy-5-methylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide has a molecular weight of 333.39 g/mol, XLogP of 3.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide is sourced from PubChem (CID 25218548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).