N-[[3-[3-(dimethylamino)propoxy]phenyl]methyl]-4-pyridin-4-ylbenzamide

C24H27N3O2 — CID 155511547

IUPACN-[[3-[3-(dimethylamino)propoxy]phenyl]methyl]-4-pyridin-4-ylbenzamide
SMILESCN(C)CCCOc1cccc(CNC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIInChI=1S/C24H27N3O2/c1-27(2)15-4-16-29-23-6-3-5-19(17-23)18-26-24(28)22-9-7-20(8-10-22)21-11-13-25-14-12-21/h3,5-14,17H,4,15-16,18H2,1-2H3,(H,26,28)
InChIKeyOTJCUPAITLBALS-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.01
Rot. Bonds9

About N-[[3-[3-(dimethylamino)propoxy]phenyl]methyl]-4-pyridin-4-ylbenzamide

N-[[3-[3-(dimethylamino)propoxy]phenyl]methyl]-4-pyridin-4-ylbenzamide (PubChem CID 155511547) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[[3-[3-(dimethylamino)propoxy]phenyl]methyl]-4-pyridin-4-ylbenzamide.

Molecular Properties

Compound NameN-[[3-[3-(dimethylamino)propoxy]phenyl]methyl]-4-pyridin-4-ylbenzamide
PubChem CID155511547
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-[[3-[3-(dimethylamino)propoxy]phenyl]methyl]-4-pyridin-4-ylbenzamide
SMILESCN(C)CCCOc1cccc(CNC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIInChI=1S/C24H27N3O2/c1-27(2)15-4-16-29-23-6-3-5-19(17-23)18-26-24(28)22-9-7-20(8-10-22)21-11-13-25-14-12-21/h3,5-14,17H,4,15-16,18H2,1-2H3,(H,26,28)
InChIKeyOTJCUPAITLBALS-UHFFFAOYSA-N
XLogP4.01
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[3-(dimethylamino)propoxy]phenyl]methyl]-4-pyridin-4-ylbenzamide?
The IUPAC name of N-[[3-[3-(dimethylamino)propoxy]phenyl]methyl]-4-pyridin-4-ylbenzamide (CID 155511547) is N-[[3-[3-(dimethylamino)propoxy]phenyl]methyl]-4-pyridin-4-ylbenzamide.
What is the SMILES notation for N-[[3-[3-(dimethylamino)propoxy]phenyl]methyl]-4-pyridin-4-ylbenzamide?
The canonical SMILES for N-[[3-[3-(dimethylamino)propoxy]phenyl]methyl]-4-pyridin-4-ylbenzamide is CN(C)CCCOc1cccc(CNC(=O)c2ccc(-c3ccncc3)cc2)c1.
What is the InChIKey of N-[[3-[3-(dimethylamino)propoxy]phenyl]methyl]-4-pyridin-4-ylbenzamide?
The InChIKey is OTJCUPAITLBALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-27(2)15-4-16-29-23-6-3-5-19(17-23)18-26-24(28)22-9-7-20(8-10-22)21-11-13-25-14-12-21/h3,5-14,17H,4,15-16,18H2,1-2H3,(H,26,28).
What are the key properties of N-[[3-[3-(dimethylamino)propoxy]phenyl]methyl]-4-pyridin-4-ylbenzamide?
N-[[3-[3-(dimethylamino)propoxy]phenyl]methyl]-4-pyridin-4-ylbenzamide has a molecular weight of 389.50 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-(dimethylamino)propoxy]phenyl]methyl]-4-pyridin-4-ylbenzamide is sourced from PubChem (CID 155511547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).