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

C26H29N3O3 — CID 56678904

IUPACN-phenyl-2-(pyridin-2-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide
SMILESO=C(Nc1ccccc1)c1ccc(OCCCN2CCCC2)cc1OCc1ccccn1
InChIInChI=1S/C26H29N3O3/c30-26(28-21-9-2-1-3-10-21)24-13-12-23(31-18-8-17-29-15-6-7-16-29)19-25(24)32-20-22-11-4-5-14-27-22/h1-5,9-14,19H,6-8,15-18,20H2,(H,28,30)
InChIKeyXROYXJTUYJBTOK-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.78
Rot. Bonds10

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

N-phenyl-2-(pyridin-2-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide (PubChem CID 56678904) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-phenyl-2-(pyridin-2-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide.

Molecular Properties

Compound NameN-phenyl-2-(pyridin-2-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide
PubChem CID56678904
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-phenyl-2-(pyridin-2-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide
SMILESO=C(Nc1ccccc1)c1ccc(OCCCN2CCCC2)cc1OCc1ccccn1
InChIInChI=1S/C26H29N3O3/c30-26(28-21-9-2-1-3-10-21)24-13-12-23(31-18-8-17-29-15-6-7-16-29)19-25(24)32-20-22-11-4-5-14-27-22/h1-5,9-14,19H,6-8,15-18,20H2,(H,28,30)
InChIKeyXROYXJTUYJBTOK-UHFFFAOYSA-N
XLogP4.78
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxyphenyl)-2-(pyridin-3-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide
CID 56675699
2-(2-pyrrolidin-1-ylethoxymethyl)pyridine
CID 163407284
(4-benzamidophenyl) 4-(3-pyridin-2-ylpropyl)piperazine-1-carboxylate
CID 57455945
N-(3-bromophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide
CID 91937888
3-piperidin-1-ylpropyl N-(4-phenoxyphenyl)carbamate
CID 11035624
4-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 38670554
N-[4-[3-(azepan-1-yl)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide
CID 100658483
1-benzyl-3-[4-[[7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]phenyl]urea
CID 50898684
4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-phenylbenzamide
CID 69063215
3-phenylmethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 33498503
3-piperidin-1-ylpropyl N-(3-nonoxyphenyl)carbamate
CID 15937470
2-nitro-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide
CID 141275172

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-(pyridin-2-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide?
The IUPAC name of N-phenyl-2-(pyridin-2-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide (CID 56678904) is N-phenyl-2-(pyridin-2-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide.
What is the SMILES notation for N-phenyl-2-(pyridin-2-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide?
The canonical SMILES for N-phenyl-2-(pyridin-2-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide is O=C(Nc1ccccc1)c1ccc(OCCCN2CCCC2)cc1OCc1ccccn1.
What is the InChIKey of N-phenyl-2-(pyridin-2-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide?
The InChIKey is XROYXJTUYJBTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c30-26(28-21-9-2-1-3-10-21)24-13-12-23(31-18-8-17-29-15-6-7-16-29)19-25(24)32-20-22-11-4-5-14-27-22/h1-5,9-14,19H,6-8,15-18,20H2,(H,28,30).
What are the key properties of N-phenyl-2-(pyridin-2-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide?
N-phenyl-2-(pyridin-2-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide has a molecular weight of 431.54 g/mol, XLogP of 4.78, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-(pyridin-2-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide is sourced from PubChem (CID 56678904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).