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

C28H34ClN7O3 — CID 156524241

IUPAC(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-N-[(1R)-1-(5-chloro-2-methylphenyl)-2-methylpropyl]-2-N-methyl-2-N-(1-methylimidazol-2-yl)-4-oxoazetidine-1,2-dicarboxamide
SMILESCc1cc(C[C@H]2C(=O)N(C(=O)N[C@@H](c3cc(Cl)ccc3C)C(C)C)[C@@H]2C(=O)N(C)c2nccn2C)cc(N)n1
InChIInChI=1S/C28H34ClN7O3/c1-15(2)23(20-14-19(29)8-7-16(20)3)33-28(39)36-24(26(38)35(6)27-31-9-10-34(27)5)21(25(36)37)12-18-11-17(4)32-22(30)13-18/h7-11,13-15,21,23-24H,12H2,1-6H3,(H2,30,32)(H,33,39)/t21-,23-,24+/m1/s1
InChIKeyZNOGTIUWNIUSGH-JRFVFWCSSA-N
MW552.08 g/mol
LogP3.81
Rot. Bonds7

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

(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-N-[(1R)-1-(5-chloro-2-methylphenyl)-2-methylpropyl]-2-N-methyl-2-N-(1-methylimidazol-2-yl)-4-oxoazetidine-1,2-dicarboxamide (PubChem CID 156524241) has the molecular formula C28H34ClN7O3 and a molecular weight of 552.08 g/mol. Its IUPAC name is (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-N-[(1R)-1-(5-chloro-2-methylphenyl)-2-methylpropyl]-2-N-methyl-2-N-(1-methylimidazol-2-yl)-4-oxoazetidine-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)-2-methylpropyl]-2-N-methyl-2-N-(1-methylimidazol-2-yl)-4-oxoazetidine-1,2-dicarboxamide
PubChem CID156524241
Molecular FormulaC28H34ClN7O3
Molecular Weight552.08 g/mol
Exact Mass551.24
IUPAC Name(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-N-[(1R)-1-(5-chloro-2-methylphenyl)-2-methylpropyl]-2-N-methyl-2-N-(1-methylimidazol-2-yl)-4-oxoazetidine-1,2-dicarboxamide
SMILESCc1cc(C[C@H]2C(=O)N(C(=O)N[C@@H](c3cc(Cl)ccc3C)C(C)C)[C@@H]2C(=O)N(C)c2nccn2C)cc(N)n1
InChIInChI=1S/C28H34ClN7O3/c1-15(2)23(20-14-19(29)8-7-16(20)3)33-28(39)36-24(26(38)35(6)27-31-9-10-34(27)5)21(25(36)37)12-18-11-17(4)32-22(30)13-18/h7-11,13-15,21,23-24H,12H2,1-6H3,(H2,30,32)(H,33,39)/t21-,23-,24+/m1/s1
InChIKeyZNOGTIUWNIUSGH-JRFVFWCSSA-N
XLogP3.81
TPSA126.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.08
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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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)-2-methylpropyl]-2-N-methyl-2-N-(1-methylimidazol-2-yl)-4-oxoazetidine-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)-2-methylpropyl]-2-N-methyl-2-N-(1-methylimidazol-2-yl)-4-oxoazetidine-1,2-dicarboxamide (CID 156524241) is (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-N-[(1R)-1-(5-chloro-2-methylphenyl)-2-methylpropyl]-2-N-methyl-2-N-(1-methylimidazol-2-yl)-4-oxoazetidine-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)-2-methylpropyl]-2-N-methyl-2-N-(1-methylimidazol-2-yl)-4-oxoazetidine-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)-2-methylpropyl]-2-N-methyl-2-N-(1-methylimidazol-2-yl)-4-oxoazetidine-1,2-dicarboxamide is Cc1cc(C[C@H]2C(=O)N(C(=O)N[C@@H](c3cc(Cl)ccc3C)C(C)C)[C@@H]2C(=O)N(C)c2nccn2C)cc(N)n1.
What is the InChIKey of (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-N-[(1R)-1-(5-chloro-2-methylphenyl)-2-methylpropyl]-2-N-methyl-2-N-(1-methylimidazol-2-yl)-4-oxoazetidine-1,2-dicarboxamide?
The InChIKey is ZNOGTIUWNIUSGH-JRFVFWCSSA-N. The full InChI is InChI=1S/C28H34ClN7O3/c1-15(2)23(20-14-19(29)8-7-16(20)3)33-28(39)36-24(26(38)35(6)27-31-9-10-34(27)5)21(25(36)37)12-18-11-17(4)32-22(30)13-18/h7-11,13-15,21,23-24H,12H2,1-6H3,(H2,30,32)(H,33,39)/t21-,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)-2-methylpropyl]-2-N-methyl-2-N-(1-methylimidazol-2-yl)-4-oxoazetidine-1,2-dicarboxamide?
(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-N-[(1R)-1-(5-chloro-2-methylphenyl)-2-methylpropyl]-2-N-methyl-2-N-(1-methylimidazol-2-yl)-4-oxoazetidine-1,2-dicarboxamide has a molecular weight of 552.08 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 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)-2-methylpropyl]-2-N-methyl-2-N-(1-methylimidazol-2-yl)-4-oxoazetidine-1,2-dicarboxamide is sourced from PubChem (CID 156524241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).