1-N-(1-cyclohexylethyl)-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide;4-methylpyridin-2-amine

C26H35N5O3 — CID 142386743

IUPAC1-N-(1-cyclohexylethyl)-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide;4-methylpyridin-2-amine
SMILESCC(NC(=O)N1C(=O)CC1C(=O)N(C)c1ccccc1)C1CCCCC1.Cc1ccnc(N)c1
InChIInChI=1S/C20H27N3O3.C6H8N2/c1-14(15-9-5-3-6-10-15)21-20(26)23-17(13-18(23)24)19(25)22(2)16-11-7-4-8-12-16;1-5-2-3-8-6(7)4-5/h4,7-8,11-12,14-15,17H,3,5-6,9-10,13H2,1-2H3,(H,21,26);2-4H,1H3,(H2,7,8)
InChIKeyPVYZZZOJWADTNL-UHFFFAOYSA-N
MW465.60 g/mol
LogP3.90
Rot. Bonds4

About 1-N-(1-cyclohexylethyl)-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide;4-methylpyridin-2-amine

1-N-(1-cyclohexylethyl)-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide;4-methylpyridin-2-amine (PubChem CID 142386743) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is 1-N-(1-cyclohexylethyl)-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide;4-methylpyridin-2-amine.

Molecular Properties

Compound Name1-N-(1-cyclohexylethyl)-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide;4-methylpyridin-2-amine
PubChem CID142386743
Molecular FormulaC26H35N5O3
Molecular Weight465.60 g/mol
Exact Mass465.27
IUPAC Name1-N-(1-cyclohexylethyl)-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide;4-methylpyridin-2-amine
SMILESCC(NC(=O)N1C(=O)CC1C(=O)N(C)c1ccccc1)C1CCCCC1.Cc1ccnc(N)c1
InChIInChI=1S/C20H27N3O3.C6H8N2/c1-14(15-9-5-3-6-10-15)21-20(26)23-17(13-18(23)24)19(25)22(2)16-11-7-4-8-12-16;1-5-2-3-8-6(7)4-5/h4,7-8,11-12,14-15,17H,3,5-6,9-10,13H2,1-2H3,(H,21,26);2-4H,1H3,(H2,7,8)
InChIKeyPVYZZZOJWADTNL-UHFFFAOYSA-N
XLogP3.90
TPSA108.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(1-cyclohexylethyl)-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide
CID 142386744
1-N-(1-cyclohexylpropyl)-2-N-(3,5-dichlorophenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;4-methylpyridin-2-amine
CID 142386662
N-(3-chlorophenyl)-N,1-dimethyl-4-oxoazetidine-2-carboxamide;N-(1-cyclohexyl-2,2,2-trifluoroethyl)formamide;4-methylpyridin-2-amine
CID 142386690
1-[1-(3,4-difluorophenyl)ethylcarbamoyl]-4-oxoazetidine-2-carboxylic acid;ethane;4-methylpyridin-2-amine
CID 144899655
2-[(Z)-1-amino-2-hydrazinylethenyl]-N-benzhydryl-4-oxoazetidine-1-carboxamide;4-methylpyridin-2-amine
CID 144899680
(2S)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide
CID 135169055
2-N-methyl-4-oxo-2-N-phenyl-1-N-(1-pyridin-3-ylpropyl)azetidine-1,2-dicarboxamide;4-methylpyridine
CID 142386647
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(R)-cyclopropyl(phenyl)methyl]-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide
CID 159175264
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide
CID 135168988
(2S,3R)-3-[(2-amino-5-fluoro-4-pyridinyl)methyl]-1-N-(1-cyclohexylpropyl)-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide
CID 139580644
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylbutyl]-2-N-ethyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide
CID 146184792
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-benzhydryl-2-N-methyl-4-oxo-2-N-pyridin-4-ylazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-methyl-4-oxo-2-N-(1,3,5-triazin-2-yl)azetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-methyl-4-oxo-1-N-[(1R)-1-phenylpropyl]-2-N-pyrimidin-2-ylazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-methyl-4-oxo-1-N-[(1R)-1-phenylpropyl]-2-N-(1,3,5-triazin-2-yl)azetidine-1,2-dicarboxamide
CID 159632403

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-cyclohexylethyl)-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide;4-methylpyridin-2-amine?
The IUPAC name of 1-N-(1-cyclohexylethyl)-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide;4-methylpyridin-2-amine (CID 142386743) is 1-N-(1-cyclohexylethyl)-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide;4-methylpyridin-2-amine.
What is the SMILES notation for 1-N-(1-cyclohexylethyl)-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide;4-methylpyridin-2-amine?
The canonical SMILES for 1-N-(1-cyclohexylethyl)-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide;4-methylpyridin-2-amine is CC(NC(=O)N1C(=O)CC1C(=O)N(C)c1ccccc1)C1CCCCC1.Cc1ccnc(N)c1.
What is the InChIKey of 1-N-(1-cyclohexylethyl)-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide;4-methylpyridin-2-amine?
The InChIKey is PVYZZZOJWADTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3.C6H8N2/c1-14(15-9-5-3-6-10-15)21-20(26)23-17(13-18(23)24)19(25)22(2)16-11-7-4-8-12-16;1-5-2-3-8-6(7)4-5/h4,7-8,11-12,14-15,17H,3,5-6,9-10,13H2,1-2H3,(H,21,26);2-4H,1H3,(H2,7,8).
What are the key properties of 1-N-(1-cyclohexylethyl)-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide;4-methylpyridin-2-amine?
1-N-(1-cyclohexylethyl)-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide;4-methylpyridin-2-amine has a molecular weight of 465.60 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-cyclohexylethyl)-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide;4-methylpyridin-2-amine is sourced from PubChem (CID 142386743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).