3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-methyl-4-oxo-2-N-phenyl-1-N-(1-phenylpropyl)azetidine-1,2-dicarboxamide

C28H31N5O3 — CID 142386660

IUPAC3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-methyl-4-oxo-2-N-phenyl-1-N-(1-phenylpropyl)azetidine-1,2-dicarboxamide
SMILESCCC(NC(=O)N1C(=O)C(Cc2cc(C)nc(N)c2)C1C(=O)N(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H31N5O3/c1-4-23(20-11-7-5-8-12-20)31-28(36)33-25(27(35)32(3)21-13-9-6-10-14-21)22(26(33)34)16-19-15-18(2)30-24(29)17-19/h5-15,17,22-23,25H,4,16H2,1-3H3,(H2,29,30)(H,31,36)
InChIKeyKNXCJCYGXUVWLY-UHFFFAOYSA-N
MW485.59 g/mol
LogP3.87
Rot. Bonds7

About 3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-methyl-4-oxo-2-N-phenyl-1-N-(1-phenylpropyl)azetidine-1,2-dicarboxamide

3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-methyl-4-oxo-2-N-phenyl-1-N-(1-phenylpropyl)azetidine-1,2-dicarboxamide (PubChem CID 142386660) has the molecular formula C28H31N5O3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-methyl-4-oxo-2-N-phenyl-1-N-(1-phenylpropyl)azetidine-1,2-dicarboxamide.

Molecular Properties

Compound Name3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-methyl-4-oxo-2-N-phenyl-1-N-(1-phenylpropyl)azetidine-1,2-dicarboxamide
PubChem CID142386660
Molecular FormulaC28H31N5O3
Molecular Weight485.59 g/mol
Exact Mass485.24
IUPAC Name3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-methyl-4-oxo-2-N-phenyl-1-N-(1-phenylpropyl)azetidine-1,2-dicarboxamide
SMILESCCC(NC(=O)N1C(=O)C(Cc2cc(C)nc(N)c2)C1C(=O)N(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H31N5O3/c1-4-23(20-11-7-5-8-12-20)31-28(36)33-25(27(35)32(3)21-13-9-6-10-14-21)22(26(33)34)16-19-15-18(2)30-24(29)17-19/h5-15,17,22-23,25H,4,16H2,1-3H3,(H2,29,30)(H,31,36)
InChIKeyKNXCJCYGXUVWLY-UHFFFAOYSA-N
XLogP3.87
TPSA108.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(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
(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-methyl-2-N-(1-methylpyrazol-3-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide
CID 139403010
(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-methyl-4-oxo-1-N-[(1R)-1-phenylpropyl]-2-N-(1,3,4-thiadiazol-2-yl)azetidine-1,2-dicarboxamide
CID 139402996
(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,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-methyl-1-N-[(1R)-1-(3-methylphenyl)propyl]-2-N-(1-methylpyrazol-3-yl)-4-oxoazetidine-1,2-dicarboxamide
CID 139402916
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-methyl-4-oxo-1-N-[(1R)-1-phenylpropyl]-2-N-thiophen-2-ylazetidine-1,2-dicarboxamide
CID 139402855
(2S,3R)-2-N-methyl-2-N-(1-methylimidazol-2-yl)-3-[[2-methyl-6-(methylamino)-4-pyridinyl]methyl]-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide
CID 139403176
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-(3-chlorophenyl)-1-N-[(1R)-1-(3-chlorophenyl)propyl]-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide
CID 135169162
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-(3-chlorophenyl)-2-N-methyl-1-N-[(1R)-1-(3-methylphenyl)propyl]-4-oxoazetidine-1,2-dicarboxamide
CID 159497047
(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-N-[(1R)-1-(3,4-difluorophenyl)propyl]-2-N-methyl-2-N-(2-methyl-1H-pyrazol-2-ium-3-yl)-4-oxoazetidine-1,2-dicarboxamide
CID 161209718
(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-N-[(1R)-1-(2,3-difluorophenyl)propyl]-2-N-methyl-2-N-(2-methylpyrazol-3-yl)-4-oxoazetidine-1,2-dicarboxamide
CID 139402817
(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

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-methyl-4-oxo-2-N-phenyl-1-N-(1-phenylpropyl)azetidine-1,2-dicarboxamide?
The IUPAC name of 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) is 3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-methyl-4-oxo-2-N-phenyl-1-N-(1-phenylpropyl)azetidine-1,2-dicarboxamide.
What is the SMILES notation for 3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-methyl-4-oxo-2-N-phenyl-1-N-(1-phenylpropyl)azetidine-1,2-dicarboxamide?
The canonical SMILES for 3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-methyl-4-oxo-2-N-phenyl-1-N-(1-phenylpropyl)azetidine-1,2-dicarboxamide is CCC(NC(=O)N1C(=O)C(Cc2cc(C)nc(N)c2)C1C(=O)N(C)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-methyl-4-oxo-2-N-phenyl-1-N-(1-phenylpropyl)azetidine-1,2-dicarboxamide?
The InChIKey is KNXCJCYGXUVWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3/c1-4-23(20-11-7-5-8-12-20)31-28(36)33-25(27(35)32(3)21-13-9-6-10-14-21)22(26(33)34)16-19-15-18(2)30-24(29)17-19/h5-15,17,22-23,25H,4,16H2,1-3H3,(H2,29,30)(H,31,36).
What are the key properties of 3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-methyl-4-oxo-2-N-phenyl-1-N-(1-phenylpropyl)azetidine-1,2-dicarboxamide?
3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-methyl-4-oxo-2-N-phenyl-1-N-(1-phenylpropyl)azetidine-1,2-dicarboxamide has a molecular weight of 485.59 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-methyl-4-oxo-2-N-phenyl-1-N-(1-phenylpropyl)azetidine-1,2-dicarboxamide is sourced from PubChem (CID 142386660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).