(2S,3R)-2-N-methyl-2-N-(1-methylpyrazol-4-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-1,2-dicarboxamide

C28H34N6O3 — CID 156524579

About (2S,3R)-2-N-methyl-2-N-(1-methylpyrazol-4-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-1,2-dicarboxamide

(2S,3R)-2-N-methyl-2-N-(1-methylpyrazol-4-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-1,2-dicarboxamide (PubChem CID 156524579) has the molecular formula C28H34N6O3 and a molecular weight of 502.62 g/mol. Its IUPAC name is (2S,3R)-2-N-methyl-2-N-(1-methylpyrazol-4-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-1,2-dicarboxamide.

Molecular Properties

• Compound Name: (2S,3R)-2-N-methyl-2-N-(1-methylpyrazol-4-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-1,2-dicarboxamide
• PubChem CID: 156524579
• Molecular Formula: C28H34N6O3
• Molecular Weight: 502.62 g/mol
• Exact Mass: 502.27
• IUPAC Name: (2S,3R)-2-N-methyl-2-N-(1-methylpyrazol-4-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-1,2-dicarboxamide
• SMILES: CC[C@@H](NC(=O)N1C(=O)[C@H](Cc2ccnc(C(C)C)c2)[C@H]1C(=O)N(C)c1cnn(C)c1)c1ccccc1
• InChI: InChI=1S/C28H34N6O3/c1-6-23(20-10-8-7-9-11-20)31-28(37)34-25(27(36)33(5)21-16-30-32(4)17-21)22(26(34)35)14-19-12-13-29-24(15-19)18(2)3/h7-13,15-18,22-23,25H,6,14H2,1-5H3,(H,31,37)/t22-,23-,25+/m1/s1
• InChIKey: GFIVSAXLNJSVRX-OYRHQHFDSA-N
• XLogP: 3.83
• TPSA: 100.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.62
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-N-methyl-2-N-(1-methylpyrazol-4-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-1,2-dicarboxamide?

The IUPAC name of (2S,3R)-2-N-methyl-2-N-(1-methylpyrazol-4-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-1,2-dicarboxamide (CID 156524579) is (2S,3R)-2-N-methyl-2-N-(1-methylpyrazol-4-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-1,2-dicarboxamide.

What is the SMILES notation for (2S,3R)-2-N-methyl-2-N-(1-methylpyrazol-4-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-1,2-dicarboxamide?

The canonical SMILES for (2S,3R)-2-N-methyl-2-N-(1-methylpyrazol-4-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-1,2-dicarboxamide is CC[C@@H](NC(=O)N1C(=O)[C@H](Cc2ccnc(C(C)C)c2)[C@H]1C(=O)N(C)c1cnn(C)c1)c1ccccc1.

What is the InChIKey of (2S,3R)-2-N-methyl-2-N-(1-methylpyrazol-4-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-1,2-dicarboxamide?

The InChIKey is GFIVSAXLNJSVRX-OYRHQHFDSA-N. The full InChI is InChI=1S/C28H34N6O3/c1-6-23(20-10-8-7-9-11-20)31-28(37)34-25(27(36)33(5)21-16-30-32(4)17-21)22(26(34)35)14-19-12-13-29-24(15-19)18(2)3/h7-13,15-18,22-23,25H,6,14H2,1-5H3,(H,31,37)/t22-,23-,25+/m1/s1.

What are the key properties of (2S,3R)-2-N-methyl-2-N-(1-methylpyrazol-4-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-1,2-dicarboxamide?

(2S,3R)-2-N-methyl-2-N-(1-methylpyrazol-4-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-1,2-dicarboxamide has a molecular weight of 502.62 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R)-2-N-methyl-2-N-(1-methylpyrazol-4-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]-3-[(2-propan-2-yl-4-pyridinyl)methyl]azetidine-1,2-dicarboxamide is sourced from PubChem (CID 156524579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).