N,N-dimethyl-3-[[1-(4-pyridin-3-yloxyphenyl)ethylamino]methyl]benzamide

C23H25N3O2 — CID 166209354

IUPACN,N-dimethyl-3-[[1-(4-pyridin-3-yloxyphenyl)ethylamino]methyl]benzamide
SMILESCC(NCc1cccc(C(=O)N(C)C)c1)c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C23H25N3O2/c1-17(25-15-18-6-4-7-20(14-18)23(27)26(2)3)19-9-11-21(12-10-19)28-22-8-5-13-24-16-22/h4-14,16-17,25H,15H2,1-3H3
InChIKeyQZRZNCINALSWDI-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.43
Rot. Bonds7

About N,N-dimethyl-3-[[1-(4-pyridin-3-yloxyphenyl)ethylamino]methyl]benzamide

N,N-dimethyl-3-[[1-(4-pyridin-3-yloxyphenyl)ethylamino]methyl]benzamide (PubChem CID 166209354) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N,N-dimethyl-3-[[1-(4-pyridin-3-yloxyphenyl)ethylamino]methyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[1-(4-pyridin-3-yloxyphenyl)ethylamino]methyl]benzamide
PubChem CID166209354
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN,N-dimethyl-3-[[1-(4-pyridin-3-yloxyphenyl)ethylamino]methyl]benzamide
SMILESCC(NCc1cccc(C(=O)N(C)C)c1)c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C23H25N3O2/c1-17(25-15-18-6-4-7-20(14-18)23(27)26(2)3)19-9-11-21(12-10-19)28-22-8-5-13-24-16-22/h4-14,16-17,25H,15H2,1-3H3
InChIKeyQZRZNCINALSWDI-UHFFFAOYSA-N
XLogP4.43
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[1-(4-pyridin-3-yloxyphenyl)ethylamino]methyl]benzamide?
The IUPAC name of N,N-dimethyl-3-[[1-(4-pyridin-3-yloxyphenyl)ethylamino]methyl]benzamide (CID 166209354) is N,N-dimethyl-3-[[1-(4-pyridin-3-yloxyphenyl)ethylamino]methyl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[[1-(4-pyridin-3-yloxyphenyl)ethylamino]methyl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[[1-(4-pyridin-3-yloxyphenyl)ethylamino]methyl]benzamide is CC(NCc1cccc(C(=O)N(C)C)c1)c1ccc(Oc2cccnc2)cc1.
What is the InChIKey of N,N-dimethyl-3-[[1-(4-pyridin-3-yloxyphenyl)ethylamino]methyl]benzamide?
The InChIKey is QZRZNCINALSWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-17(25-15-18-6-4-7-20(14-18)23(27)26(2)3)19-9-11-21(12-10-19)28-22-8-5-13-24-16-22/h4-14,16-17,25H,15H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[[1-(4-pyridin-3-yloxyphenyl)ethylamino]methyl]benzamide?
N,N-dimethyl-3-[[1-(4-pyridin-3-yloxyphenyl)ethylamino]methyl]benzamide has a molecular weight of 375.47 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[1-(4-pyridin-3-yloxyphenyl)ethylamino]methyl]benzamide is sourced from PubChem (CID 166209354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).