1-(3-methoxyphenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C21H25N5O4 — CID 122318776

IUPAC1-(3-methoxyphenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)NCc3nccc(N4CCOCC4)n3)CC2=O)c1
InChIInChI=1S/C21H25N5O4/c1-29-17-4-2-3-16(12-17)26-14-15(11-20(26)27)21(28)23-13-18-22-6-5-19(24-18)25-7-9-30-10-8-25/h2-6,12,15H,7-11,13-14H2,1H3,(H,23,28)
InChIKeyWWEOVQFUXKVNEZ-UHFFFAOYSA-N
MW411.46 g/mol
LogP0.99
Rot. Bonds6

About 1-(3-methoxyphenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide

1-(3-methoxyphenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 122318776) has the molecular formula C21H25N5O4 and a molecular weight of 411.46 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID122318776
Molecular FormulaC21H25N5O4
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC Name1-(3-methoxyphenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)NCc3nccc(N4CCOCC4)n3)CC2=O)c1
InChIInChI=1S/C21H25N5O4/c1-29-17-4-2-3-16(12-17)26-14-15(11-20(26)27)21(28)23-13-18-22-6-5-19(24-18)25-7-9-30-10-8-25/h2-6,12,15H,7-11,13-14H2,1H3,(H,23,28)
InChIKeyWWEOVQFUXKVNEZ-UHFFFAOYSA-N
XLogP0.99
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methoxyphenyl)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 122319052
(3S)-1-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 25332767
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122322510
1-(3-bromophenyl)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 122322579
1-(3-methoxyphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 16866574
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46487067
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]oxolane-3-carboxamide
CID 122318827
1-(3-methoxyphenyl)-5-oxo-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 90545350
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 122318847
N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650892
(4R)-1-(3-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 9375968
(3R)-N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29128274

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-methoxyphenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 122318776) is 1-(3-methoxyphenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-methoxyphenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is COc1cccc(N2CC(C(=O)NCc3nccc(N4CCOCC4)n3)CC2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WWEOVQFUXKVNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4/c1-29-17-4-2-3-16(12-17)26-14-15(11-20(26)27)21(28)23-13-18-22-6-5-19(24-18)25-7-9-30-10-8-25/h2-6,12,15H,7-11,13-14H2,1H3,(H,23,28).
What are the key properties of 1-(3-methoxyphenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-(3-methoxyphenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 122318776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).