(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

C57H68N10O6 — CID 167692889

IUPAC(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
SMILESCC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(-c4cc[nH]c(=O)c4)nc(N4CCOCC4)c3)c2)C1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(-c4ccnc(OC)c4)nc(N4CCOCC4)c3)c2)C1
InChIInChI=1S/C29H35N5O3.C28H33N5O3/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;1-3-20-7-9-33(18-20)28(35)30-23-5-4-19(2)24(17-23)22-14-25(21-6-8-29-27(34)16-21)31-26(15-22)32-10-12-36-13-11-32/h5-7,9,15-18,21H,4,8,10-14,19H2,1-3H3,(H,31,35);4-6,8,14-17,20H,3,7,9-13,18H2,1-2H3,(H,29,34)(H,30,35)/t21-;20-/m11/s1
InChIKeyXFFRTDUDCOXPPB-NWORTSARSA-N
MW989.23 g/mol
LogP9.74
Rot. Bonds11

About (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

(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 (PubChem CID 167692889) has the molecular formula C57H68N10O6 and a molecular weight of 989.23 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID167692889
Molecular FormulaC57H68N10O6
Molecular Weight989.23 g/mol
Exact Mass988.53
IUPAC Name(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
SMILESCC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(-c4cc[nH]c(=O)c4)nc(N4CCOCC4)c3)c2)C1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(-c4ccnc(OC)c4)nc(N4CCOCC4)c3)c2)C1
InChIInChI=1S/C29H35N5O3.C28H33N5O3/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;1-3-20-7-9-33(18-20)28(35)30-23-5-4-19(2)24(17-23)22-14-25(21-6-8-29-27(34)16-21)31-26(15-22)32-10-12-36-13-11-32/h5-7,9,15-18,21H,4,8,10-14,19H2,1-3H3,(H,31,35);4-6,8,14-17,20H,3,7,9-13,18H2,1-2H3,(H,29,34)(H,30,35)/t21-;20-/m11/s1
InChIKeyXFFRTDUDCOXPPB-NWORTSARSA-N
XLogP9.74
TPSA170.38 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500989.23
LogP ≤ 59.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

US11407737, Example 25
CID 162764817
N-[4-methyl-3-[2-[2-[(2S)-4-[4-[4-[2-methyl-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-6-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-2-yl]morpholin-3-yl]pyrrolidin-2-yl]ethoxy]-6-morpholin-4-ylpyridin-4-yl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 130425780
(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
4-{2-[Bis-(4-methoxy-benzyl)-amino]-pyrimidin-5-yl}-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid (4-pyridin-3-yl-phenyl)-amide
CID 67385819
3-[[2-(4-Methylpiperazin-1-yl)-3-pyridinyl]oxy]-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one;3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]-1-(4-pyridin-4-ylphenyl)pyrrolidin-2-one
CID 69572988
tert-butyl (3R,4R)-3-[[6-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methyl-2-pyridinyl]methyl]-4-[7-(pyridin-2-ylamino)isoquinolin-4-yl]oxypyrrolidine-1-carboxylate
CID 70847503
N-ethyl-4-[4-[[3-(5-methoxy-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]piperidine-1-carboxamide;6-(5-methoxy-3-pyridinyl)-8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one
CID 87192143
N-[6-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-2-[[6-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-(methylcarbamoyl)amino]acetamide
CID 91576314
N-[4-(2-methoxy-4-pyridinyl)-2-pyridinyl]-N-[[5-(3-pyrrolidin-1-ylphenyl)-2-pyridinyl]methyl]oxane-4-carboxamide
CID 126716993
4-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]-2-morpholin-4-yl-N-(4-pyridin-4-ylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
CID 141311157
4-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one;2-morpholin-4-yl-4-[1-[(6-propyl-3-pyridinyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one;4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 157740780
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(-c4cc[nH]c(=O)c4)nc(N4CCOCC4)c3)c2)C1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(-c4ccnc(OC)c4)nc(N4CCOCC4)c3)c2)C1.
What is the InChIKey of (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?
The InChIKey is XFFRTDUDCOXPPB-NWORTSARSA-N. The full InChI is InChI=1S/C29H35N5O3.C28H33N5O3/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;1-3-20-7-9-33(18-20)28(35)30-23-5-4-19(2)24(17-23)22-14-25(21-6-8-29-27(34)16-21)31-26(15-22)32-10-12-36-13-11-32/h5-7,9,15-18,21H,4,8,10-14,19H2,1-3H3,(H,31,35);4-6,8,14-17,20H,3,7,9-13,18H2,1-2H3,(H,29,34)(H,30,35)/t21-;20-/m11/s1.
What are the key properties of (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?
(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 has a molecular weight of 989.23 g/mol, XLogP of 9.74, 11 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-(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 is sourced from PubChem (CID 167692889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).