1-[(4-aminophenyl)methyl]-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-oxo-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethyl]urea

C69H87N21O10 — CID 161027030

About 1-[(4-aminophenyl)methyl]-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-oxo-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethyl]urea

1-[(4-aminophenyl)methyl]-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-oxo-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethyl]urea (PubChem CID 161027030) has the molecular formula C69H87N21O10 and a molecular weight of 1370.59 g/mol. Its IUPAC name is 1-[(4-aminophenyl)methyl]-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-oxo-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethyl]urea.

Molecular Properties

• Compound Name: 1-[(4-aminophenyl)methyl]-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-oxo-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethyl]urea
• PubChem CID: 161027030
• Molecular Formula: C69H87N21O10
• Molecular Weight: 1370.59 g/mol
• Exact Mass: 1369.69
• IUPAC Name: 1-[(4-aminophenyl)methyl]-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-oxo-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethyl]urea
• SMILES: COc1ccccc1C1CCCN1C(=O)CNC(=O)NCc1ccc(N)nc1.Nc1ccc(CNC(=O)NCC(=O)N2CCCC2c2ccccn2)cn1.Nc1ccc(CNC(=O)NCC(=O)N2CCCO2)cn1.Nc1ccc(CNC(=O)NCC(=O)N2CCC[C@@H]2c2cccnc2)cc1
• InChI: InChI=1S/C20H25N5O3.C19H23N5O2.C18H22N6O2.C12H17N5O3/c1-28-17-7-3-2-5-15(17)16-6-4-10-25(16)19(26)13-24-20(27)23-12-14-8-9-18(21)22-11-14;20-16-7-5-14(6-8-16)11-22-19(26)23-13-18(25)24-10-2-4-17(24)15-3-1-9-21-12-15;19-16-7-6-13(10-21-16)11-22-18(26)23-12-17(25)24-9-3-5-15(24)14-4-1-2-8-20-14;13-10-3-2-9(6-14-10)7-15-12(19)16-8-11(18)17-4-1-5-20-17/h2-3,5,7-9,11,16H,4,6,10,12-13H2,1H3,(H2,21,22)(H2,23,24,27);1,3,5-9,12,17H,2,4,10-11,13,20H2,(H2,22,23,26);1-2,4,6-8,10,15H,3,5,9,11-12H2,(H2,19,21)(H2,22,23,26);2-3,6H,1,4-5,7-8H2,(H2,13,14)(H2,15,16,19)/t;17-;;/m.1../s1
• InChIKey: TZCRPYFUAIVDKI-QSPMGRJTSA-N
• XLogP: 4.51
• TPSA: 432.75 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 19
• Rotatable Bonds: 20
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1370.59
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(4-aminophenyl)methyl]-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-oxo-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethyl]urea?

The IUPAC name of 1-[(4-aminophenyl)methyl]-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-oxo-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethyl]urea (CID 161027030) is 1-[(4-aminophenyl)methyl]-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-oxo-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethyl]urea.

What is the SMILES notation for 1-[(4-aminophenyl)methyl]-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-oxo-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethyl]urea?

The canonical SMILES for 1-[(4-aminophenyl)methyl]-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-oxo-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethyl]urea is COc1ccccc1C1CCCN1C(=O)CNC(=O)NCc1ccc(N)nc1.Nc1ccc(CNC(=O)NCC(=O)N2CCCC2c2ccccn2)cn1.Nc1ccc(CNC(=O)NCC(=O)N2CCCO2)cn1.Nc1ccc(CNC(=O)NCC(=O)N2CCC[C@@H]2c2cccnc2)cc1.

What is the InChIKey of 1-[(4-aminophenyl)methyl]-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-oxo-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethyl]urea?

The InChIKey is TZCRPYFUAIVDKI-QSPMGRJTSA-N. The full InChI is InChI=1S/C20H25N5O3.C19H23N5O2.C18H22N6O2.C12H17N5O3/c1-28-17-7-3-2-5-15(17)16-6-4-10-25(16)19(26)13-24-20(27)23-12-14-8-9-18(21)22-11-14;20-16-7-5-14(6-8-16)11-22-19(26)23-13-18(25)24-10-2-4-17(24)15-3-1-9-21-12-15;19-16-7-6-13(10-21-16)11-22-18(26)23-12-17(25)24-9-3-5-15(24)14-4-1-2-8-20-14;13-10-3-2-9(6-14-10)7-15-12(19)16-8-11(18)17-4-1-5-20-17/h2-3,5,7-9,11,16H,4,6,10,12-13H2,1H3,(H2,21,22)(H2,23,24,27);1,3,5-9,12,17H,2,4,10-11,13,20H2,(H2,22,23,26);1-2,4,6-8,10,15H,3,5,9,11-12H2,(H2,19,21)(H2,22,23,26);2-3,6H,1,4-5,7-8H2,(H2,13,14)(H2,15,16,19)/t;17-;;/m.1../s1.

What are the key properties of 1-[(4-aminophenyl)methyl]-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-oxo-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethyl]urea?

1-[(4-aminophenyl)methyl]-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-oxo-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethyl]urea has a molecular weight of 1370.59 g/mol, XLogP of 4.51, 20 rotatable bonds, 12 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-aminophenyl)methyl]-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]urea;1-[(6-amino-3-pyridinyl)methyl]-3-[2-oxo-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethyl]urea is sourced from PubChem (CID 161027030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).