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

C20H19N3O3 — CID 25218553

IUPACN-(2-hydroxy-5-methoxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
SMILESCOc1ccc(O)c(NC(=O)c2ccc(CNc3ccncc3)cc2)c1
InChIInChI=1S/C20H19N3O3/c1-26-17-6-7-19(24)18(12-17)23-20(25)15-4-2-14(3-5-15)13-22-16-8-10-21-11-9-16/h2-12,24H,13H2,1H3,(H,21,22)(H,23,25)
InChIKeyYNEGGDSVHOSXTA-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.66
Rot. Bonds6

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

N-(2-hydroxy-5-methoxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide (PubChem CID 25218553) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(2-hydroxy-5-methoxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methoxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
PubChem CID25218553
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-(2-hydroxy-5-methoxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
SMILESCOc1ccc(O)c(NC(=O)c2ccc(CNc3ccncc3)cc2)c1
InChIInChI=1S/C20H19N3O3/c1-26-17-6-7-19(24)18(12-17)23-20(25)15-4-2-14(3-5-15)13-22-16-8-10-21-11-9-16/h2-12,24H,13H2,1H3,(H,21,22)(H,23,25)
InChIKeyYNEGGDSVHOSXTA-UHFFFAOYSA-N
XLogP3.66
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-methoxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide?
The IUPAC name of N-(2-hydroxy-5-methoxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide (CID 25218553) is N-(2-hydroxy-5-methoxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide.
What is the SMILES notation for N-(2-hydroxy-5-methoxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide?
The canonical SMILES for N-(2-hydroxy-5-methoxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide is COc1ccc(O)c(NC(=O)c2ccc(CNc3ccncc3)cc2)c1.
What is the InChIKey of N-(2-hydroxy-5-methoxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide?
The InChIKey is YNEGGDSVHOSXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-26-17-6-7-19(24)18(12-17)23-20(25)15-4-2-14(3-5-15)13-22-16-8-10-21-11-9-16/h2-12,24H,13H2,1H3,(H,21,22)(H,23,25).
What are the key properties of N-(2-hydroxy-5-methoxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide?
N-(2-hydroxy-5-methoxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide has a molecular weight of 349.39 g/mol, XLogP of 3.66, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methoxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide is sourced from PubChem (CID 25218553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).