2-N-methyl-4-oxo-2-N-phenyl-1-N-(1-pyridin-3-ylpropyl)azetidine-1,2-dicarboxamide;4-methylpyridine

C26H29N5O3 — CID 142386647

IUPAC2-N-methyl-4-oxo-2-N-phenyl-1-N-(1-pyridin-3-ylpropyl)azetidine-1,2-dicarboxamide;4-methylpyridine
SMILESCCC(NC(=O)N1C(=O)CC1C(=O)N(C)c1ccccc1)c1cccnc1.Cc1ccncc1
InChIInChI=1S/C20H22N4O3.C6H7N/c1-3-16(14-8-7-11-21-13-14)22-20(27)24-17(12-18(24)25)19(26)23(2)15-9-5-4-6-10-15;1-6-2-4-7-5-3-6/h4-11,13,16-17H,3,12H2,1-2H3,(H,22,27);2-5H,1H3
InChIKeyGDUNVPLWGHPDTM-UHFFFAOYSA-N
MW459.55 g/mol
LogP3.90
Rot. Bonds5

About 2-N-methyl-4-oxo-2-N-phenyl-1-N-(1-pyridin-3-ylpropyl)azetidine-1,2-dicarboxamide;4-methylpyridine

2-N-methyl-4-oxo-2-N-phenyl-1-N-(1-pyridin-3-ylpropyl)azetidine-1,2-dicarboxamide;4-methylpyridine (PubChem CID 142386647) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is 2-N-methyl-4-oxo-2-N-phenyl-1-N-(1-pyridin-3-ylpropyl)azetidine-1,2-dicarboxamide;4-methylpyridine.

Molecular Properties

Compound Name2-N-methyl-4-oxo-2-N-phenyl-1-N-(1-pyridin-3-ylpropyl)azetidine-1,2-dicarboxamide;4-methylpyridine
PubChem CID142386647
Molecular FormulaC26H29N5O3
Molecular Weight459.55 g/mol
Exact Mass459.23
IUPAC Name2-N-methyl-4-oxo-2-N-phenyl-1-N-(1-pyridin-3-ylpropyl)azetidine-1,2-dicarboxamide;4-methylpyridine
SMILESCCC(NC(=O)N1C(=O)CC1C(=O)N(C)c1ccccc1)c1cccnc1.Cc1ccncc1
InChIInChI=1S/C20H22N4O3.C6H7N/c1-3-16(14-8-7-11-21-13-14)22-20(27)24-17(12-18(24)25)19(26)23(2)15-9-5-4-6-10-15;1-6-2-4-7-5-3-6/h4-11,13,16-17H,3,12H2,1-2H3,(H,22,27);2-5H,1H3
InChIKeyGDUNVPLWGHPDTM-UHFFFAOYSA-N
XLogP3.90
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-N-methyl-4-oxo-2-N-phenyl-1-N-(1-pyridin-3-ylpropyl)azetidine-1,2-dicarboxamide;4-methylpyridine with MolForge

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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-cyclohexylethyl)-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide;4-methylpyridin-2-amine
CID 142386743
(3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-methyl-4-oxo-2-N-phenyl-1-N-(1-pyridin-4-ylpropyl)azetidine-1,2-dicarboxamide
CID 142386730
(2S)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-methyl-1-N-[(1R)-1-(6-methyl-3-pyridinyl)propyl]-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide
CID 135169119
3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-methyl-4-oxo-2-N-phenyl-1-N-(1-phenylpropyl)azetidine-1,2-dicarboxamide
CID 142386660
1-N-(1-cyclohexylpropyl)-2-N-(3,5-dichlorophenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;4-methylpyridin-2-amine
CID 142386662
2-(3,6-dimethyl-2-oxo-1-pyridinyl)-N-[(1S)-1-pyridin-3-ylpropyl]acetamide
CID 59951658
1-ethyl-6-methyl-2-oxo-N-[(1S)-1-pyridin-3-ylpropyl]pyridine-3-carboxamide
CID 125441292
2-[(Z)-1,2-diaminoethenyl]-4-oxo-N-(1-phenylethyl)azetidine-1-carboxamide
CID 174176847
(2S)-3-[(2-amino-4-pyridinyl)methyl]-2-N-methyl-4-oxo-2-N-pyridin-4-yl-1-N-[(1R)-1-[3-(trifluoromethyl)phenyl]propyl]azetidine-1,2-dicarboxamide
CID 135168957
4-(2-pyrazol-1-ylethyl)-N-(1-pyridin-3-ylpropyl)piperidine-1-carboxamide
CID 122565648
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-methyl-4-oxo-2-N-phenyl-1-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]azetidine-1,2-dicarboxamide
CID 135168980

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-oxo-2-N-phenyl-1-N-(1-pyridin-3-ylpropyl)azetidine-1,2-dicarboxamide;4-methylpyridine?
The IUPAC name of 2-N-methyl-4-oxo-2-N-phenyl-1-N-(1-pyridin-3-ylpropyl)azetidine-1,2-dicarboxamide;4-methylpyridine (CID 142386647) is 2-N-methyl-4-oxo-2-N-phenyl-1-N-(1-pyridin-3-ylpropyl)azetidine-1,2-dicarboxamide;4-methylpyridine.
What is the SMILES notation for 2-N-methyl-4-oxo-2-N-phenyl-1-N-(1-pyridin-3-ylpropyl)azetidine-1,2-dicarboxamide;4-methylpyridine?
The canonical SMILES for 2-N-methyl-4-oxo-2-N-phenyl-1-N-(1-pyridin-3-ylpropyl)azetidine-1,2-dicarboxamide;4-methylpyridine is CCC(NC(=O)N1C(=O)CC1C(=O)N(C)c1ccccc1)c1cccnc1.Cc1ccncc1.
What is the InChIKey of 2-N-methyl-4-oxo-2-N-phenyl-1-N-(1-pyridin-3-ylpropyl)azetidine-1,2-dicarboxamide;4-methylpyridine?
The InChIKey is GDUNVPLWGHPDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3.C6H7N/c1-3-16(14-8-7-11-21-13-14)22-20(27)24-17(12-18(24)25)19(26)23(2)15-9-5-4-6-10-15;1-6-2-4-7-5-3-6/h4-11,13,16-17H,3,12H2,1-2H3,(H,22,27);2-5H,1H3.
What are the key properties of 2-N-methyl-4-oxo-2-N-phenyl-1-N-(1-pyridin-3-ylpropyl)azetidine-1,2-dicarboxamide;4-methylpyridine?
2-N-methyl-4-oxo-2-N-phenyl-1-N-(1-pyridin-3-ylpropyl)azetidine-1,2-dicarboxamide;4-methylpyridine has a molecular weight of 459.55 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-oxo-2-N-phenyl-1-N-(1-pyridin-3-ylpropyl)azetidine-1,2-dicarboxamide;4-methylpyridine is sourced from PubChem (CID 142386647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).