tert-butyl (3S,4R)-3-[methyl-(3-pyridin-3-ylphenyl)carbamoyl]-4-phenylpyrrolidine-1-carboxylate;(3S,4R)-N-methyl-4-phenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide;(3S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-3-carboxylic acid;N-methyl-3-pyridin-3-ylaniline

C79H87N9O8 — CID 159570151

About tert-butyl (3S,4R)-3-[methyl-(3-pyridin-3-ylphenyl)carbamoyl]-4-phenylpyrrolidine-1-carboxylate;(3S,4R)-N-methyl-4-phenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide;(3S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-3-carboxylic acid;N-methyl-3-pyridin-3-ylaniline

tert-butyl (3S,4R)-3-[methyl-(3-pyridin-3-ylphenyl)carbamoyl]-4-phenylpyrrolidine-1-carboxylate;(3S,4R)-N-methyl-4-phenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide;(3S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-3-carboxylic acid;N-methyl-3-pyridin-3-ylaniline (PubChem CID 159570151) has the molecular formula C79H87N9O8 and a molecular weight of 1290.62 g/mol. Its IUPAC name is tert-butyl (3S,4R)-3-[methyl-(3-pyridin-3-ylphenyl)carbamoyl]-4-phenylpyrrolidine-1-carboxylate;(3S,4R)-N-methyl-4-phenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide;(3S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-3-carboxylic acid;N-methyl-3-pyridin-3-ylaniline.

Molecular Properties

• Compound Name: tert-butyl (3S,4R)-3-[methyl-(3-pyridin-3-ylphenyl)carbamoyl]-4-phenylpyrrolidine-1-carboxylate;(3S,4R)-N-methyl-4-phenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide;(3S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-3-carboxylic acid;N-methyl-3-pyridin-3-ylaniline
• PubChem CID: 159570151
• Molecular Formula: C79H87N9O8
• Molecular Weight: 1290.62 g/mol
• Exact Mass: 1289.67
• IUPAC Name: tert-butyl (3S,4R)-3-[methyl-(3-pyridin-3-ylphenyl)carbamoyl]-4-phenylpyrrolidine-1-carboxylate;(3S,4R)-N-methyl-4-phenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide;(3S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-3-carboxylic acid;N-methyl-3-pyridin-3-ylaniline
• SMILES: CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@H](c2ccccc2)C1.CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1)c1cccc(-c2cccnc2)c1.CN(C(=O)[C@@H]1CNC[C@H]1c1ccccc1)c1cccc(-c2cccnc2)c1.CNc1cccc(-c2cccnc2)c1
• InChI: InChI=1S/C28H31N3O3.C23H23N3O.C16H21NO4.C12H12N2/c1-28(2,3)34-27(33)31-18-24(20-10-6-5-7-11-20)25(19-31)26(32)30(4)23-14-8-12-21(16-23)22-13-9-15-29-17-22;1-26(20-11-5-9-18(13-20)19-10-6-12-24-14-19)23(27)22-16-25-15-21(22)17-7-3-2-4-8-17;1-16(2,3)21-15(20)17-9-12(13(10-17)14(18)19)11-7-5-4-6-8-11;1-13-12-6-2-4-10(8-12)11-5-3-7-14-9-11/h5-17,24-25H,18-19H2,1-4H3;2-14,21-22,25H,15-16H2,1H3;4-8,12-13H,9-10H2,1-3H3,(H,18,19);2-9,13H,1H3/t24-,25+;21-,22+;12-,13+;/m000./s1
• InChIKey: MHSAPTCBWOFRQK-RXPWBGBZSA-N
• XLogP: 14.59
• TPSA: 199.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1290.62
LogP ≤ 5	14.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,4R)-3-[methyl-(3-pyridin-3-ylphenyl)carbamoyl]-4-phenylpyrrolidine-1-carboxylate;(3S,4R)-N-methyl-4-phenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide;(3S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-3-carboxylic acid;N-methyl-3-pyridin-3-ylaniline?

The IUPAC name of tert-butyl (3S,4R)-3-[methyl-(3-pyridin-3-ylphenyl)carbamoyl]-4-phenylpyrrolidine-1-carboxylate;(3S,4R)-N-methyl-4-phenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide;(3S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-3-carboxylic acid;N-methyl-3-pyridin-3-ylaniline (CID 159570151) is tert-butyl (3S,4R)-3-[methyl-(3-pyridin-3-ylphenyl)carbamoyl]-4-phenylpyrrolidine-1-carboxylate;(3S,4R)-N-methyl-4-phenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide;(3S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-3-carboxylic acid;N-methyl-3-pyridin-3-ylaniline.

What is the SMILES notation for tert-butyl (3S,4R)-3-[methyl-(3-pyridin-3-ylphenyl)carbamoyl]-4-phenylpyrrolidine-1-carboxylate;(3S,4R)-N-methyl-4-phenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide;(3S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-3-carboxylic acid;N-methyl-3-pyridin-3-ylaniline?

The canonical SMILES for tert-butyl (3S,4R)-3-[methyl-(3-pyridin-3-ylphenyl)carbamoyl]-4-phenylpyrrolidine-1-carboxylate;(3S,4R)-N-methyl-4-phenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide;(3S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-3-carboxylic acid;N-methyl-3-pyridin-3-ylaniline is CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@H](c2ccccc2)C1.CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1)c1cccc(-c2cccnc2)c1.CN(C(=O)[C@@H]1CNC[C@H]1c1ccccc1)c1cccc(-c2cccnc2)c1.CNc1cccc(-c2cccnc2)c1.

What is the InChIKey of tert-butyl (3S,4R)-3-[methyl-(3-pyridin-3-ylphenyl)carbamoyl]-4-phenylpyrrolidine-1-carboxylate;(3S,4R)-N-methyl-4-phenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide;(3S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-3-carboxylic acid;N-methyl-3-pyridin-3-ylaniline?

The InChIKey is MHSAPTCBWOFRQK-RXPWBGBZSA-N. The full InChI is InChI=1S/C28H31N3O3.C23H23N3O.C16H21NO4.C12H12N2/c1-28(2,3)34-27(33)31-18-24(20-10-6-5-7-11-20)25(19-31)26(32)30(4)23-14-8-12-21(16-23)22-13-9-15-29-17-22;1-26(20-11-5-9-18(13-20)19-10-6-12-24-14-19)23(27)22-16-25-15-21(22)17-7-3-2-4-8-17;1-16(2,3)21-15(20)17-9-12(13(10-17)14(18)19)11-7-5-4-6-8-11;1-13-12-6-2-4-10(8-12)11-5-3-7-14-9-11/h5-17,24-25H,18-19H2,1-4H3;2-14,21-22,25H,15-16H2,1H3;4-8,12-13H,9-10H2,1-3H3,(H,18,19);2-9,13H,1H3/t24-,25+;21-,22+;12-,13+;/m000./s1.

What are the key properties of tert-butyl (3S,4R)-3-[methyl-(3-pyridin-3-ylphenyl)carbamoyl]-4-phenylpyrrolidine-1-carboxylate;(3S,4R)-N-methyl-4-phenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide;(3S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-3-carboxylic acid;N-methyl-3-pyridin-3-ylaniline?

tert-butyl (3S,4R)-3-[methyl-(3-pyridin-3-ylphenyl)carbamoyl]-4-phenylpyrrolidine-1-carboxylate;(3S,4R)-N-methyl-4-phenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide;(3S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-3-carboxylic acid;N-methyl-3-pyridin-3-ylaniline has a molecular weight of 1290.62 g/mol, XLogP of 14.59, 12 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3S,4R)-3-[methyl-(3-pyridin-3-ylphenyl)carbamoyl]-4-phenylpyrrolidine-1-carboxylate;(3S,4R)-N-methyl-4-phenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide;(3S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-3-carboxylic acid;N-methyl-3-pyridin-3-ylaniline is sourced from PubChem (CID 159570151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).