(3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(2-methoxy-4-pyridinyl)boronic acid

C58H72BClN10O8 — CID 164957347

IUPAC(3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(2-methoxy-4-pyridinyl)boronic acid
SMILESCC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(-c4ccnc(OC)c4)nc(N4CCOCC4)c3)c2)C1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(Cl)nc(N4CCOCC4)c3)c2)C1.COc1cc(B(O)O)ccn1
InChIInChI=1S/C29H35N5O3.C23H29ClN4O2.C6H8BNO3/c1-4-21-8-10-34(19-21)29(35)31-24-6-5-20(2)25(18-24)23-15-26(22-7-9-30-28(17-22)36-3)32-27(16-23)33-11-13-37-14-12-33;1-3-17-6-7-28(15-17)23(29)25-19-5-4-16(2)20(14-19)18-12-21(24)26-22(13-18)27-8-10-30-11-9-27;1-11-6-4-5(7(9)10)2-3-8-6/h5-7,9,15-18,21H,4,8,10-14,19H2,1-3H3,(H,31,35);4-5,12-14,17H,3,6-11,15H2,1-2H3,(H,25,29);2-4,9-10H,1H3/t21-;17-;/m11./s1
InChIKeyBIWMSICVNPGMJL-HDKRXMMYSA-N
MW1083.54 g/mol
LogP8.81
Rot. Bonds12

About (3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(2-methoxy-4-pyridinyl)boronic acid

(3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(2-methoxy-4-pyridinyl)boronic acid (PubChem CID 164957347) has the molecular formula C58H72BClN10O8 and a molecular weight of 1083.54 g/mol. Its IUPAC name is (3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(2-methoxy-4-pyridinyl)boronic acid.

Molecular Properties

Compound Name(3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(2-methoxy-4-pyridinyl)boronic acid
PubChem CID164957347
Molecular FormulaC58H72BClN10O8
Molecular Weight1083.54 g/mol
Exact Mass1082.53
IUPAC Name(3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(2-methoxy-4-pyridinyl)boronic acid
SMILESCC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(-c4ccnc(OC)c4)nc(N4CCOCC4)c3)c2)C1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(Cl)nc(N4CCOCC4)c3)c2)C1.COc1cc(B(O)O)ccn1
InChIInChI=1S/C29H35N5O3.C23H29ClN4O2.C6H8BNO3/c1-4-21-8-10-34(19-21)29(35)31-24-6-5-20(2)25(18-24)23-15-26(22-7-9-30-28(17-22)36-3)32-27(16-23)33-11-13-37-14-12-33;1-3-17-6-7-28(15-17)23(29)25-19-5-4-16(2)20(14-19)18-12-21(24)26-22(13-18)27-8-10-30-11-9-27;1-11-6-4-5(7(9)10)2-3-8-6/h5-7,9,15-18,21H,4,8,10-14,19H2,1-3H3,(H,31,35);4-5,12-14,17H,3,6-11,15H2,1-2H3,(H,25,29);2-4,9-10H,1H3/t21-;17-;/m11./s1
InChIKeyBIWMSICVNPGMJL-HDKRXMMYSA-N
XLogP8.81
TPSA200.10 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001083.54
LogP ≤ 58.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(2-methoxy-4-pyridinyl)boronic acid with MolForge

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Launch Full Analysis

Related Compounds

US11407737, Example 25
CID 162764817
(3S)-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-1H-pyridin-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 164970230
bis(carbon dioxide);4-(4-chloro-6-methyl-2-pyridinyl)morpholine;2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)propan-2-ol;2,4-dichloro-6-methylpyridine;(4,6-dichloro-2-pyridinyl) formate;(3R)-3-ethyl-N-[3-[2-(2-hydroxypropan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine
CID 164996406
bis(carbon dioxide);1-(4-chloro-6-methyl-2-pyridinyl)piperazine;2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)propan-2-ol;2,4-dichloro-6-methylpyridine;(4,6-dichloro-2-pyridinyl) formate;(3R)-3-ethyl-N-[3-[2-(2-hydroxypropan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine
CID 167612143
(9S)-5-chloro-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(2-ethoxy-4-pyridinyl)boronic acid;(9S)-5-(2-ethoxy-4-pyridinyl)-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 157919752
tert-butyl (3R)-3-(aminomethyl)pyrrolidine-1-carboxylate;4-[4-(5-chloro-1,6-naphthyridin-7-yl)-2-methoxyphenyl]morpholine;methane;7-(3-methoxy-4-morpholin-4-ylphenyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,6-naphthyridin-5-amine
CID 158630636
(9S)-5-chloro-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(2-methoxy-6-methyl-4-pyridinyl)boronic acid;(9S)-5-(2-methoxy-6-methyl-4-pyridinyl)-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 159107864
(9S)-5-chloro-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(2-methoxy-4-pyridinyl)boronic acid;(9S)-5-(2-methoxy-4-pyridinyl)-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 159869507
(3R)-3-ethyl-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide
CID 164957348
(3R)-N-[3-[2-(2-amino-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 165002599
(3R)-3-ethyl-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-1H-pyridin-4-yl)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide
CID 167692889

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(2-methoxy-4-pyridinyl)boronic acid?
The IUPAC name of (3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(2-methoxy-4-pyridinyl)boronic acid (CID 164957347) is (3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(2-methoxy-4-pyridinyl)boronic acid.
What is the SMILES notation for (3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(2-methoxy-4-pyridinyl)boronic acid?
The canonical SMILES for (3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(2-methoxy-4-pyridinyl)boronic acid is CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(-c4ccnc(OC)c4)nc(N4CCOCC4)c3)c2)C1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(Cl)nc(N4CCOCC4)c3)c2)C1.COc1cc(B(O)O)ccn1.
What is the InChIKey of (3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(2-methoxy-4-pyridinyl)boronic acid?
The InChIKey is BIWMSICVNPGMJL-HDKRXMMYSA-N. The full InChI is InChI=1S/C29H35N5O3.C23H29ClN4O2.C6H8BNO3/c1-4-21-8-10-34(19-21)29(35)31-24-6-5-20(2)25(18-24)23-15-26(22-7-9-30-28(17-22)36-3)32-27(16-23)33-11-13-37-14-12-33;1-3-17-6-7-28(15-17)23(29)25-19-5-4-16(2)20(14-19)18-12-21(24)26-22(13-18)27-8-10-30-11-9-27;1-11-6-4-5(7(9)10)2-3-8-6/h5-7,9,15-18,21H,4,8,10-14,19H2,1-3H3,(H,31,35);4-5,12-14,17H,3,6-11,15H2,1-2H3,(H,25,29);2-4,9-10H,1H3/t21-;17-;/m11./s1.
What are the key properties of (3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(2-methoxy-4-pyridinyl)boronic acid?
(3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(2-methoxy-4-pyridinyl)boronic acid has a molecular weight of 1083.54 g/mol, XLogP of 8.81, 12 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(2-methoxy-4-pyridinyl)boronic acid is sourced from PubChem (CID 164957347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).