(3R)-3-ethyl-N-[3-[2-[(4-methoxyphenyl)methyl-methylamino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-(methylamino)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide

C56H74N10O5 — CID 158206227

About (3R)-3-ethyl-N-[3-[2-[(4-methoxyphenyl)methyl-methylamino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-(methylamino)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide

(3R)-3-ethyl-N-[3-[2-[(4-methoxyphenyl)methyl-methylamino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-(methylamino)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide (PubChem CID 158206227) has the molecular formula C56H74N10O5 and a molecular weight of 967.27 g/mol. Its IUPAC name is (3R)-3-ethyl-N-[3-[2-[(4-methoxyphenyl)methyl-methylamino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-(methylamino)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: (3R)-3-ethyl-N-[3-[2-[(4-methoxyphenyl)methyl-methylamino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-(methylamino)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide
• PubChem CID: 158206227
• Molecular Formula: C56H74N10O5
• Molecular Weight: 967.27 g/mol
• Exact Mass: 966.58
• IUPAC Name: (3R)-3-ethyl-N-[3-[2-[(4-methoxyphenyl)methyl-methylamino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-(methylamino)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide
• SMILES: CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N(C)Cc4ccc(OC)cc4)nc(N4CCOCC4)c3)c2)C1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(NC)nc(N4CCOCC4)c3)c2)C1
• InChI: InChI=1S/C32H41N5O3.C24H33N5O2/c1-5-24-12-13-37(22-24)32(38)33-27-9-6-23(2)29(20-27)26-18-30(34-31(19-26)36-14-16-40-17-15-36)35(3)21-25-7-10-28(39-4)11-8-25;1-4-18-7-8-29(16-18)24(30)26-20-6-5-17(2)21(15-20)19-13-22(25-3)27-23(14-19)28-9-11-31-12-10-28/h6-11,18-20,24H,5,12-17,21-22H2,1-4H3,(H,33,38);5-6,13-15,18H,4,7-12,16H2,1-3H3,(H,25,27)(H,26,30)/t24-;18-/m11/s1
• InChIKey: GBNITLLIOUAUHE-SNLHVCIVSA-N
• XLogP: 10.00
• TPSA: 139.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	967.27
LogP ≤ 5	10.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-N-[3-[2-[(4-methoxyphenyl)methyl-methylamino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-(methylamino)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide?

The IUPAC name of (3R)-3-ethyl-N-[3-[2-[(4-methoxyphenyl)methyl-methylamino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-(methylamino)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide (CID 158206227) is (3R)-3-ethyl-N-[3-[2-[(4-methoxyphenyl)methyl-methylamino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-(methylamino)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide.

What is the SMILES notation for (3R)-3-ethyl-N-[3-[2-[(4-methoxyphenyl)methyl-methylamino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-(methylamino)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide?

The canonical SMILES for (3R)-3-ethyl-N-[3-[2-[(4-methoxyphenyl)methyl-methylamino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-(methylamino)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide is CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N(C)Cc4ccc(OC)cc4)nc(N4CCOCC4)c3)c2)C1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(NC)nc(N4CCOCC4)c3)c2)C1.

What is the InChIKey of (3R)-3-ethyl-N-[3-[2-[(4-methoxyphenyl)methyl-methylamino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-(methylamino)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide?

The InChIKey is GBNITLLIOUAUHE-SNLHVCIVSA-N. The full InChI is InChI=1S/C32H41N5O3.C24H33N5O2/c1-5-24-12-13-37(22-24)32(38)33-27-9-6-23(2)29(20-27)26-18-30(34-31(19-26)36-14-16-40-17-15-36)35(3)21-25-7-10-28(39-4)11-8-25;1-4-18-7-8-29(16-18)24(30)26-20-6-5-17(2)21(15-20)19-13-22(25-3)27-23(14-19)28-9-11-31-12-10-28/h6-11,18-20,24H,5,12-17,21-22H2,1-4H3,(H,33,38);5-6,13-15,18H,4,7-12,16H2,1-3H3,(H,25,27)(H,26,30)/t24-;18-/m11/s1.

What are the key properties of (3R)-3-ethyl-N-[3-[2-[(4-methoxyphenyl)methyl-methylamino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-(methylamino)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide?

(3R)-3-ethyl-N-[3-[2-[(4-methoxyphenyl)methyl-methylamino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-(methylamino)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 967.27 g/mol, XLogP of 10.00, 13 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-ethyl-N-[3-[2-[(4-methoxyphenyl)methyl-methylamino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-(methylamino)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 158206227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).