(2S,3R)-N-benzhydryl-2-[(1R)-1-hydroxyethyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-1-carboxamide

C25H25N3O3 — CID 147307261

IUPAC(2S,3R)-N-benzhydryl-2-[(1R)-1-hydroxyethyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-1-carboxamide
SMILESC[C@@H](O)[C@@H]1[C@@H](Cc2ccncc2)C(=O)N1C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25N3O3/c1-17(29)23-21(16-18-12-14-26-15-13-18)24(30)28(23)25(31)27-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,17,21-23,29H,16H2,1H3,(H,27,31)/t17-,21-,23-/m1/s1
InChIKeyCXGFTEJIHBGBII-ODOSVJCGSA-N
MW415.49 g/mol
LogP3.33
Rot. Bonds6

About (2S,3R)-N-benzhydryl-2-[(1R)-1-hydroxyethyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-1-carboxamide

(2S,3R)-N-benzhydryl-2-[(1R)-1-hydroxyethyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-1-carboxamide (PubChem CID 147307261) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is (2S,3R)-N-benzhydryl-2-[(1R)-1-hydroxyethyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-benzhydryl-2-[(1R)-1-hydroxyethyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-1-carboxamide
PubChem CID147307261
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name(2S,3R)-N-benzhydryl-2-[(1R)-1-hydroxyethyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-1-carboxamide
SMILESC[C@@H](O)[C@@H]1[C@@H](Cc2ccncc2)C(=O)N1C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25N3O3/c1-17(29)23-21(16-18-12-14-26-15-13-18)24(30)28(23)25(31)27-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,17,21-23,29H,16H2,1H3,(H,27,31)/t17-,21-,23-/m1/s1
InChIKeyCXGFTEJIHBGBII-ODOSVJCGSA-N
XLogP3.33
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,3R)-N-benzhydryl-2-[(1R)-1-hydroxyethyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-amino-4-pyridinyl)methyl]-2-(difluoromethyl)-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide
CID 123223617
(2R,3S)-3-[(2-amino-4-pyridinyl)methyl]-N-benzhydryl-2-methylsulfonyl-4-oxoazetidine-1-carboxamide
CID 118303472
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-benzhydryl-4-oxoazetidine-1,2-dicarboxamide
CID 118299696
(2S,3R)-3-[2-(2-amino-4-pyridinyl)ethyl]-1-(benzhydrylcarbamoyl)-4-oxoazetidine-2-carboxylic acid
CID 118299484
(2R,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-(methoxyamino)-4-oxo-N-[(1R)-1-phenylethyl]azetidine-1-carboxamide
CID 138546217
(2S,3R)-1-[[(1R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylic acid
CID 118299677
3-[(2-amino-4-pyridinyl)methyl]-2-methanimidoyl-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide
CID 123823658
(2S,3R)-1-[[(1S)-1-cyclohexyl-2,2-difluoropropyl]carbamoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylic acid
CID 118300591
1-(benzhydrylcarbamoyl)-3-[(6-chloro-2-methyl-2,3-dihydropyridin-4-yl)methyl]-4-oxoazetidine-2-carboxylic acid
CID 123426541
N-[(S)-(2-methylphenyl)-phenylmethyl]-2-pyridin-4-ylacetamide
CID 95228803
(2R)-N-[(S)-phenyl(pyridin-4-yl)methyl]-2-pyrazol-1-ylpropanamide
CID 95934280
benzyl (2S)-3-[(2-amino-4-pyridinyl)methyl]-4-oxo-1-[[(1R)-1-phenylethyl]carbamoyl]azetidine-2-carboxylate
CID 126557070

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-benzhydryl-2-[(1R)-1-hydroxyethyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-1-carboxamide?
The IUPAC name of (2S,3R)-N-benzhydryl-2-[(1R)-1-hydroxyethyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-1-carboxamide (CID 147307261) is (2S,3R)-N-benzhydryl-2-[(1R)-1-hydroxyethyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-1-carboxamide.
What is the SMILES notation for (2S,3R)-N-benzhydryl-2-[(1R)-1-hydroxyethyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-1-carboxamide?
The canonical SMILES for (2S,3R)-N-benzhydryl-2-[(1R)-1-hydroxyethyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-1-carboxamide is C[C@@H](O)[C@@H]1[C@@H](Cc2ccncc2)C(=O)N1C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3R)-N-benzhydryl-2-[(1R)-1-hydroxyethyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-1-carboxamide?
The InChIKey is CXGFTEJIHBGBII-ODOSVJCGSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-17(29)23-21(16-18-12-14-26-15-13-18)24(30)28(23)25(31)27-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,17,21-23,29H,16H2,1H3,(H,27,31)/t17-,21-,23-/m1/s1.
What are the key properties of (2S,3R)-N-benzhydryl-2-[(1R)-1-hydroxyethyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-1-carboxamide?
(2S,3R)-N-benzhydryl-2-[(1R)-1-hydroxyethyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-1-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-benzhydryl-2-[(1R)-1-hydroxyethyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-1-carboxamide is sourced from PubChem (CID 147307261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).