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

C26H29N3O4 — CID 56675699

IUPACN-(3-hydroxyphenyl)-2-(pyridin-3-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide
SMILESO=C(Nc1cccc(O)c1)c1ccc(OCCCN2CCCC2)cc1OCc1cccnc1
InChIInChI=1S/C26H29N3O4/c30-22-8-3-7-21(16-22)28-26(31)24-10-9-23(32-15-5-14-29-12-1-2-13-29)17-25(24)33-19-20-6-4-11-27-18-20/h3-4,6-11,16-18,30H,1-2,5,12-15,19H2,(H,28,31)
InChIKeyVVVKRAXPLJPTMG-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.48
Rot. Bonds10

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

N-(3-hydroxyphenyl)-2-(pyridin-3-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide (PubChem CID 56675699) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-2-(pyridin-3-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-2-(pyridin-3-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide
PubChem CID56675699
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC NameN-(3-hydroxyphenyl)-2-(pyridin-3-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide
SMILESO=C(Nc1cccc(O)c1)c1ccc(OCCCN2CCCC2)cc1OCc1cccnc1
InChIInChI=1S/C26H29N3O4/c30-22-8-3-7-21(16-22)28-26(31)24-10-9-23(32-15-5-14-29-12-1-2-13-29)17-25(24)33-19-20-6-4-11-27-18-20/h3-4,6-11,16-18,30H,1-2,5,12-15,19H2,(H,28,31)
InChIKeyVVVKRAXPLJPTMG-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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Related Compounds

N-phenyl-2-(pyridin-2-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide
CID 56678904
3-(3-pyrrolidin-1-ylpropoxy)phenol
CID 61494316
N-(3-bromophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide
CID 91937888
N-(3-hydroxyphenyl)-4-pyridin-3-yloxybutanamide
CID 110487035
2-(1-hydroxycyclohexyl)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 111536786
N-(3-piperazin-1-ylpropyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 119391833
N-(3-ethylphenyl)-2,4-bis(phenylmethoxy)benzamide
CID 69249899
1-hydroxy-N-[3-(pyridin-3-ylmethoxy)phenyl]cyclopentane-1-carboxamide
CID 110899598
3,4-diethoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 60520684
1-oxo-N-[3-(pyridin-3-ylmethoxy)phenyl]-2H-isoquinoline-4-carboxamide
CID 119044409
2-piperidin-1-ylethyl N-(3-phenylmethoxyphenyl)carbamate;hydrochloride
CID 138398426
2-[(3-fluorophenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911652

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-2-(pyridin-3-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide?
The IUPAC name of N-(3-hydroxyphenyl)-2-(pyridin-3-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide (CID 56675699) is N-(3-hydroxyphenyl)-2-(pyridin-3-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-2-(pyridin-3-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide?
The canonical SMILES for N-(3-hydroxyphenyl)-2-(pyridin-3-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide is O=C(Nc1cccc(O)c1)c1ccc(OCCCN2CCCC2)cc1OCc1cccnc1.
What is the InChIKey of N-(3-hydroxyphenyl)-2-(pyridin-3-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide?
The InChIKey is VVVKRAXPLJPTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c30-22-8-3-7-21(16-22)28-26(31)24-10-9-23(32-15-5-14-29-12-1-2-13-29)17-25(24)33-19-20-6-4-11-27-18-20/h3-4,6-11,16-18,30H,1-2,5,12-15,19H2,(H,28,31).
What are the key properties of N-(3-hydroxyphenyl)-2-(pyridin-3-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide?
N-(3-hydroxyphenyl)-2-(pyridin-3-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-3-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide is sourced from PubChem (CID 56675699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).