N-(3-hydroxyphenyl)-2-(pyridin-2-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide

C26H29N3O4 — CID 56679001

IUPACN-(3-hydroxyphenyl)-2-(pyridin-2-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide
SMILESO=C(Nc1cccc(O)c1)c1ccc(OCCCN2CCCC2)cc1OCc1ccccn1
InChIInChI=1S/C26H29N3O4/c30-22-9-5-8-20(17-22)28-26(31)24-11-10-23(32-16-6-15-29-13-3-4-14-29)18-25(24)33-19-21-7-1-2-12-27-21/h1-2,5,7-12,17-18,30H,3-4,6,13-16,19H2,(H,28,31)
InChIKeyAMZPDASESZAAOP-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.48
Rot. Bonds10

About N-(3-hydroxyphenyl)-2-(pyridin-2-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide

N-(3-hydroxyphenyl)-2-(pyridin-2-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide (PubChem CID 56679001) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-2-(pyridin-2-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-2-(pyridin-2-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide
PubChem CID56679001
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC NameN-(3-hydroxyphenyl)-2-(pyridin-2-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide
SMILESO=C(Nc1cccc(O)c1)c1ccc(OCCCN2CCCC2)cc1OCc1ccccn1
InChIInChI=1S/C26H29N3O4/c30-22-9-5-8-20(17-22)28-26(31)24-11-10-23(32-16-6-15-29-13-3-4-14-29)18-25(24)33-19-21-7-1-2-12-27-21/h1-2,5,7-12,17-18,30H,3-4,6,13-16,19H2,(H,28,31)
InChIKeyAMZPDASESZAAOP-UHFFFAOYSA-N
XLogP4.48
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-2-(pyridin-2-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide?
The IUPAC name of N-(3-hydroxyphenyl)-2-(pyridin-2-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide (CID 56679001) is N-(3-hydroxyphenyl)-2-(pyridin-2-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-2-(pyridin-2-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide?
The canonical SMILES for N-(3-hydroxyphenyl)-2-(pyridin-2-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide is O=C(Nc1cccc(O)c1)c1ccc(OCCCN2CCCC2)cc1OCc1ccccn1.
What is the InChIKey of N-(3-hydroxyphenyl)-2-(pyridin-2-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide?
The InChIKey is AMZPDASESZAAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c30-22-9-5-8-20(17-22)28-26(31)24-11-10-23(32-16-6-15-29-13-3-4-14-29)18-25(24)33-19-21-7-1-2-12-27-21/h1-2,5,7-12,17-18,30H,3-4,6,13-16,19H2,(H,28,31).
What are the key properties of N-(3-hydroxyphenyl)-2-(pyridin-2-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide?
N-(3-hydroxyphenyl)-2-(pyridin-2-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide has a molecular weight of 447.54 g/mol, XLogP of 4.48, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-2-(pyridin-2-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide is sourced from PubChem (CID 56679001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).