2-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]oxypropyl 6-(cyclopropylmethylcarbamoyl)-3-[2-(ethylcarbamoyl)-5-methoxyphenyl]pyridine-2-carboxylate

C34H46N4O9 — CID 142339584

About 2-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]oxypropyl 6-(cyclopropylmethylcarbamoyl)-3-[2-(ethylcarbamoyl)-5-methoxyphenyl]pyridine-2-carboxylate

2-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]oxypropyl 6-(cyclopropylmethylcarbamoyl)-3-[2-(ethylcarbamoyl)-5-methoxyphenyl]pyridine-2-carboxylate (PubChem CID 142339584) has the molecular formula C34H46N4O9 and a molecular weight of 654.76 g/mol. Its IUPAC name is 2-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]oxypropyl 6-(cyclopropylmethylcarbamoyl)-3-[2-(ethylcarbamoyl)-5-methoxyphenyl]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: 2-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]oxypropyl 6-(cyclopropylmethylcarbamoyl)-3-[2-(ethylcarbamoyl)-5-methoxyphenyl]pyridine-2-carboxylate
• PubChem CID: 142339584
• Molecular Formula: C34H46N4O9
• Molecular Weight: 654.76 g/mol
• Exact Mass: 654.33
• IUPAC Name: 2-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]oxypropyl 6-(cyclopropylmethylcarbamoyl)-3-[2-(ethylcarbamoyl)-5-methoxyphenyl]pyridine-2-carboxylate
• SMILES: CCNC(=O)c1ccc(OC)cc1-c1ccc(C(=O)NCC2CC2)nc1C(=O)OCC(C)OC(=O)C(NC(=O)OC(C)(C)C)C(C)C
• InChI: InChI=1S/C34H46N4O9/c1-9-35-29(39)24-13-12-22(44-8)16-25(24)23-14-15-26(30(40)36-17-21-10-11-21)37-28(23)31(41)45-18-20(4)46-32(42)27(19(2)3)38-33(43)47-34(5,6)7/h12-16,19-21,27H,9-11,17-18H2,1-8H3,(H,35,39)(H,36,40)(H,38,43)
• InChIKey: FZMTTYZRLAATCB-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 171.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	654.76
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]oxypropyl 6-(cyclopropylmethylcarbamoyl)-3-[2-(ethylcarbamoyl)-5-methoxyphenyl]pyridine-2-carboxylate?

The IUPAC name of 2-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]oxypropyl 6-(cyclopropylmethylcarbamoyl)-3-[2-(ethylcarbamoyl)-5-methoxyphenyl]pyridine-2-carboxylate (CID 142339584) is 2-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]oxypropyl 6-(cyclopropylmethylcarbamoyl)-3-[2-(ethylcarbamoyl)-5-methoxyphenyl]pyridine-2-carboxylate.

What is the SMILES notation for 2-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]oxypropyl 6-(cyclopropylmethylcarbamoyl)-3-[2-(ethylcarbamoyl)-5-methoxyphenyl]pyridine-2-carboxylate?

The canonical SMILES for 2-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]oxypropyl 6-(cyclopropylmethylcarbamoyl)-3-[2-(ethylcarbamoyl)-5-methoxyphenyl]pyridine-2-carboxylate is CCNC(=O)c1ccc(OC)cc1-c1ccc(C(=O)NCC2CC2)nc1C(=O)OCC(C)OC(=O)C(NC(=O)OC(C)(C)C)C(C)C.

What is the InChIKey of 2-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]oxypropyl 6-(cyclopropylmethylcarbamoyl)-3-[2-(ethylcarbamoyl)-5-methoxyphenyl]pyridine-2-carboxylate?

The InChIKey is FZMTTYZRLAATCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46N4O9/c1-9-35-29(39)24-13-12-22(44-8)16-25(24)23-14-15-26(30(40)36-17-21-10-11-21)37-28(23)31(41)45-18-20(4)46-32(42)27(19(2)3)38-33(43)47-34(5,6)7/h12-16,19-21,27H,9-11,17-18H2,1-8H3,(H,35,39)(H,36,40)(H,38,43).

What are the key properties of 2-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]oxypropyl 6-(cyclopropylmethylcarbamoyl)-3-[2-(ethylcarbamoyl)-5-methoxyphenyl]pyridine-2-carboxylate?

2-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]oxypropyl 6-(cyclopropylmethylcarbamoyl)-3-[2-(ethylcarbamoyl)-5-methoxyphenyl]pyridine-2-carboxylate has a molecular weight of 654.76 g/mol, XLogP of 4.28, 14 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]oxypropyl 6-(cyclopropylmethylcarbamoyl)-3-[2-(ethylcarbamoyl)-5-methoxyphenyl]pyridine-2-carboxylate is sourced from PubChem (CID 142339584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).