propan-2-yl 2-[3-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]pyrrolidin-1-yl]-4-methylpyridine-3-carboxylate

C30H37N3O3 — CID 77266799

About propan-2-yl 2-[3-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]pyrrolidin-1-yl]-4-methylpyridine-3-carboxylate

propan-2-yl 2-[3-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]pyrrolidin-1-yl]-4-methylpyridine-3-carboxylate (PubChem CID 77266799) has the molecular formula C30H37N3O3 and a molecular weight of 487.64 g/mol. Its IUPAC name is propan-2-yl 2-[3-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]pyrrolidin-1-yl]-4-methylpyridine-3-carboxylate.

Molecular Properties

• Compound Name: propan-2-yl 2-[3-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]pyrrolidin-1-yl]-4-methylpyridine-3-carboxylate
• PubChem CID: 77266799
• Molecular Formula: C30H37N3O3
• Molecular Weight: 487.64 g/mol
• Exact Mass: 487.28
• IUPAC Name: propan-2-yl 2-[3-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]pyrrolidin-1-yl]-4-methylpyridine-3-carboxylate
• SMILES: CCN(Cc1ccc(OCc2ccccc2)cc1)C1CCN(c2nccc(C)c2C(=O)OC(C)C)C1
• InChI: InChI=1S/C30H37N3O3/c1-5-32(19-24-11-13-27(14-12-24)35-21-25-9-7-6-8-10-25)26-16-18-33(20-26)29-28(23(4)15-17-31-29)30(34)36-22(2)3/h6-15,17,22,26H,5,16,18-21H2,1-4H3
• InChIKey: VDHZNAYROKIMBE-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 54.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.64
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[3-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]pyrrolidin-1-yl]-4-methylpyridine-3-carboxylate?

The IUPAC name of propan-2-yl 2-[3-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]pyrrolidin-1-yl]-4-methylpyridine-3-carboxylate (CID 77266799) is propan-2-yl 2-[3-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]pyrrolidin-1-yl]-4-methylpyridine-3-carboxylate.

What is the SMILES notation for propan-2-yl 2-[3-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]pyrrolidin-1-yl]-4-methylpyridine-3-carboxylate?

The canonical SMILES for propan-2-yl 2-[3-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]pyrrolidin-1-yl]-4-methylpyridine-3-carboxylate is CCN(Cc1ccc(OCc2ccccc2)cc1)C1CCN(c2nccc(C)c2C(=O)OC(C)C)C1.

What is the InChIKey of propan-2-yl 2-[3-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]pyrrolidin-1-yl]-4-methylpyridine-3-carboxylate?

The InChIKey is VDHZNAYROKIMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O3/c1-5-32(19-24-11-13-27(14-12-24)35-21-25-9-7-6-8-10-25)26-16-18-33(20-26)29-28(23(4)15-17-31-29)30(34)36-22(2)3/h6-15,17,22,26H,5,16,18-21H2,1-4H3.

What are the key properties of propan-2-yl 2-[3-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]pyrrolidin-1-yl]-4-methylpyridine-3-carboxylate?

propan-2-yl 2-[3-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]pyrrolidin-1-yl]-4-methylpyridine-3-carboxylate has a molecular weight of 487.64 g/mol, XLogP of 5.64, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl 2-[3-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]pyrrolidin-1-yl]-4-methylpyridine-3-carboxylate is sourced from PubChem (CID 77266799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).