1-benzhydryl-N-(2-pyridin-2-ylethyl)azetidine-3-carboxamide

C24H25N3O — CID 71702513

IUPAC1-benzhydryl-N-(2-pyridin-2-ylethyl)azetidine-3-carboxamide
SMILESO=C(NCCc1ccccn1)C1CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C24H25N3O/c28-24(26-16-14-22-13-7-8-15-25-22)21-17-27(18-21)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-13,15,21,23H,14,16-18H2,(H,26,28)
InChIKeyMLZQOODYHDGIMG-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.46
Rot. Bonds7

About 1-benzhydryl-N-(2-pyridin-2-ylethyl)azetidine-3-carboxamide

1-benzhydryl-N-(2-pyridin-2-ylethyl)azetidine-3-carboxamide (PubChem CID 71702513) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-benzhydryl-N-(2-pyridin-2-ylethyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-benzhydryl-N-(2-pyridin-2-ylethyl)azetidine-3-carboxamide
PubChem CID71702513
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name1-benzhydryl-N-(2-pyridin-2-ylethyl)azetidine-3-carboxamide
SMILESO=C(NCCc1ccccn1)C1CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C24H25N3O/c28-24(26-16-14-22-13-7-8-15-25-22)21-17-27(18-21)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-13,15,21,23H,14,16-18H2,(H,26,28)
InChIKeyMLZQOODYHDGIMG-UHFFFAOYSA-N
XLogP3.46
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
cis-(1R,3S)-3-(2-pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 74235631
4-hydroxy-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 112530288
N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
CID 51073128
(3R)-N-(3,3-diphenylpropyl)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 42291904
1-N-phenyl-3-N-(2-pyridin-2-ylethyl)piperidine-1,3-dicarboxamide
CID 51250780
(3S)-1-cyclopentyl-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 94181168
(1S)-3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 178156221
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 96558079
(3R)-1-benzylsulfonyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 1445005
3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;propane
CID 144736514
1-N,1-N-dimethyl-3-N-(2-pyridin-2-ylethyl)piperidine-1,3-dicarboxamide
CID 47028685

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-N-(2-pyridin-2-ylethyl)azetidine-3-carboxamide?
The IUPAC name of 1-benzhydryl-N-(2-pyridin-2-ylethyl)azetidine-3-carboxamide (CID 71702513) is 1-benzhydryl-N-(2-pyridin-2-ylethyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-benzhydryl-N-(2-pyridin-2-ylethyl)azetidine-3-carboxamide?
The canonical SMILES for 1-benzhydryl-N-(2-pyridin-2-ylethyl)azetidine-3-carboxamide is O=C(NCCc1ccccn1)C1CN(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-benzhydryl-N-(2-pyridin-2-ylethyl)azetidine-3-carboxamide?
The InChIKey is MLZQOODYHDGIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c28-24(26-16-14-22-13-7-8-15-25-22)21-17-27(18-21)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-13,15,21,23H,14,16-18H2,(H,26,28).
What are the key properties of 1-benzhydryl-N-(2-pyridin-2-ylethyl)azetidine-3-carboxamide?
1-benzhydryl-N-(2-pyridin-2-ylethyl)azetidine-3-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-N-(2-pyridin-2-ylethyl)azetidine-3-carboxamide is sourced from PubChem (CID 71702513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).