(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-N-[(1R)-1-(5-chloro-2-methylphenyl)propyl]-4-hydroxy-2-N-methyl-2-N-(1-methylimidazol-2-yl)azetidine-1,2-dicarboxamide

C27H34ClN7O3 — CID 139402952

IUPAC(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-N-[(1R)-1-(5-chloro-2-methylphenyl)propyl]-4-hydroxy-2-N-methyl-2-N-(1-methylimidazol-2-yl)azetidine-1,2-dicarboxamide
SMILESCC[C@@H](NC(=O)N1C(O)[C@H](Cc2cc(C)nc(N)c2)[C@H]1C(=O)N(C)c1nccn1C)c1cc(Cl)ccc1C
InChIInChI=1S/C27H34ClN7O3/c1-6-21(19-14-18(28)8-7-15(19)2)32-27(38)35-23(25(37)34(5)26-30-9-10-33(26)4)20(24(35)36)12-17-11-16(3)31-22(29)13-17/h7-11,13-14,20-21,23-24,36H,6,12H2,1-5H3,(H2,29,31)(H,32,38)/t20-,21-,23+,24?/m1/s1
InChIKeyCXMHNYJIVVQSAS-LATPHMMUSA-N
MW540.07 g/mol
LogP3.35
Rot. Bonds7

About (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-N-[(1R)-1-(5-chloro-2-methylphenyl)propyl]-4-hydroxy-2-N-methyl-2-N-(1-methylimidazol-2-yl)azetidine-1,2-dicarboxamide

(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-N-[(1R)-1-(5-chloro-2-methylphenyl)propyl]-4-hydroxy-2-N-methyl-2-N-(1-methylimidazol-2-yl)azetidine-1,2-dicarboxamide (PubChem CID 139402952) has the molecular formula C27H34ClN7O3 and a molecular weight of 540.07 g/mol. Its IUPAC name is (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-N-[(1R)-1-(5-chloro-2-methylphenyl)propyl]-4-hydroxy-2-N-methyl-2-N-(1-methylimidazol-2-yl)azetidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-N-[(1R)-1-(5-chloro-2-methylphenyl)propyl]-4-hydroxy-2-N-methyl-2-N-(1-methylimidazol-2-yl)azetidine-1,2-dicarboxamide
PubChem CID139402952
Molecular FormulaC27H34ClN7O3
Molecular Weight540.07 g/mol
Exact Mass539.24
IUPAC Name(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-N-[(1R)-1-(5-chloro-2-methylphenyl)propyl]-4-hydroxy-2-N-methyl-2-N-(1-methylimidazol-2-yl)azetidine-1,2-dicarboxamide
SMILESCC[C@@H](NC(=O)N1C(O)[C@H](Cc2cc(C)nc(N)c2)[C@H]1C(=O)N(C)c1nccn1C)c1cc(Cl)ccc1C
InChIInChI=1S/C27H34ClN7O3/c1-6-21(19-14-18(28)8-7-15(19)2)32-27(38)35-23(25(37)34(5)26-30-9-10-33(26)4)20(24(35)36)12-17-11-16(3)31-22(29)13-17/h7-11,13-14,20-21,23-24,36H,6,12H2,1-5H3,(H2,29,31)(H,32,38)/t20-,21-,23+,24?/m1/s1
InChIKeyCXMHNYJIVVQSAS-LATPHMMUSA-N
XLogP3.35
TPSA129.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.07
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-N-[(1R)-1-(5-chloro-2-methylphenyl)propyl]-4-hydroxy-2-N-methyl-2-N-(1-methylimidazol-2-yl)azetidine-1,2-dicarboxamide with MolForge

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Related Compounds

(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[1-(2,5-difluorophenyl)propyl]-4-hydroxy-2-N-methyl-2-N-(1-methylimidazol-2-yl)azetidine-1,2-dicarboxamide
CID 139402926
(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]-1-N-[(1R)-1-(4-fluoro-3,5-dimethylphenyl)propyl]-2-N-methyl-2-N-(1-methylimidazol-2-yl)-4-oxoazetidine-1,2-dicarboxamide
CID 139402982
(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-[(1R)-1-(2,5-dichlorophenyl)propyl]-2-N-methyl-4-oxo-2-N-pyridin-4-ylazetidine-1,2-dicarboxamide
CID 135169025
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2-chloro-5-methylphenyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(3-chloro-4-methylphenyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(5-chloro-2-methylphenyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-5-methylphenyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide
CID 160539179
(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-1-N-[(1R)-1-(3-methylphenyl)propyl]-2-N-(1-methylpyrazol-3-yl)-4-oxoazetidine-1,2-dicarboxamide
CID 139402916
(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-4-pyridinyl)methyl]-1-N-[1-(3-chlorophenyl)propyl]-2-N-methyl-2-N-(1-methylpyrazol-3-yl)-4-oxoazetidine-1,2-dicarboxamide
CID 139402881
(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]-2-N-methyl-1-N-[(1R)-1-(6-methyl-3-pyridinyl)butyl]-4-oxo-2-N-pyridin-4-ylazetidine-1,2-dicarboxamide
CID 146188338

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-N-[(1R)-1-(5-chloro-2-methylphenyl)propyl]-4-hydroxy-2-N-methyl-2-N-(1-methylimidazol-2-yl)azetidine-1,2-dicarboxamide?
The IUPAC name of (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-N-[(1R)-1-(5-chloro-2-methylphenyl)propyl]-4-hydroxy-2-N-methyl-2-N-(1-methylimidazol-2-yl)azetidine-1,2-dicarboxamide (CID 139402952) is (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-N-[(1R)-1-(5-chloro-2-methylphenyl)propyl]-4-hydroxy-2-N-methyl-2-N-(1-methylimidazol-2-yl)azetidine-1,2-dicarboxamide.
What is the SMILES notation for (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-N-[(1R)-1-(5-chloro-2-methylphenyl)propyl]-4-hydroxy-2-N-methyl-2-N-(1-methylimidazol-2-yl)azetidine-1,2-dicarboxamide?
The canonical SMILES for (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-N-[(1R)-1-(5-chloro-2-methylphenyl)propyl]-4-hydroxy-2-N-methyl-2-N-(1-methylimidazol-2-yl)azetidine-1,2-dicarboxamide is CC[C@@H](NC(=O)N1C(O)[C@H](Cc2cc(C)nc(N)c2)[C@H]1C(=O)N(C)c1nccn1C)c1cc(Cl)ccc1C.
What is the InChIKey of (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-N-[(1R)-1-(5-chloro-2-methylphenyl)propyl]-4-hydroxy-2-N-methyl-2-N-(1-methylimidazol-2-yl)azetidine-1,2-dicarboxamide?
The InChIKey is CXMHNYJIVVQSAS-LATPHMMUSA-N. The full InChI is InChI=1S/C27H34ClN7O3/c1-6-21(19-14-18(28)8-7-15(19)2)32-27(38)35-23(25(37)34(5)26-30-9-10-33(26)4)20(24(35)36)12-17-11-16(3)31-22(29)13-17/h7-11,13-14,20-21,23-24,36H,6,12H2,1-5H3,(H2,29,31)(H,32,38)/t20-,21-,23+,24?/m1/s1.
What are the key properties of (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-N-[(1R)-1-(5-chloro-2-methylphenyl)propyl]-4-hydroxy-2-N-methyl-2-N-(1-methylimidazol-2-yl)azetidine-1,2-dicarboxamide?
(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-N-[(1R)-1-(5-chloro-2-methylphenyl)propyl]-4-hydroxy-2-N-methyl-2-N-(1-methylimidazol-2-yl)azetidine-1,2-dicarboxamide has a molecular weight of 540.07 g/mol, XLogP of 3.35, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-N-[(1R)-1-(5-chloro-2-methylphenyl)propyl]-4-hydroxy-2-N-methyl-2-N-(1-methylimidazol-2-yl)azetidine-1,2-dicarboxamide is sourced from PubChem (CID 139402952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).