1-(4-chlorophenyl)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide

C22H27ClN6O3 — CID 122295155

IUPAC1-(4-chlorophenyl)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(N2CCOCC2)nc(NCCNC(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C22H27ClN6O3/c1-15-12-19(28-8-10-32-11-9-28)27-22(26-15)25-7-6-24-21(31)16-13-20(30)29(14-16)18-4-2-17(23)3-5-18/h2-5,12,16H,6-11,13-14H2,1H3,(H,24,31)(H,25,26,27)
InChIKeyUUSFMBKDOMVQPM-UHFFFAOYSA-N
MW458.95 g/mol
LogP1.86
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide

1-(4-chlorophenyl)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 122295155) has the molecular formula C22H27ClN6O3 and a molecular weight of 458.95 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID122295155
Molecular FormulaC22H27ClN6O3
Molecular Weight458.95 g/mol
Exact Mass458.18
IUPAC Name1-(4-chlorophenyl)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(N2CCOCC2)nc(NCCNC(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C22H27ClN6O3/c1-15-12-19(28-8-10-32-11-9-28)27-22(26-15)25-7-6-24-21(31)16-13-20(30)29(14-16)18-4-2-17(23)3-5-18/h2-5,12,16H,6-11,13-14H2,1H3,(H,24,31)(H,25,26,27)
InChIKeyUUSFMBKDOMVQPM-UHFFFAOYSA-N
XLogP1.86
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.95
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
(3R)-1-(4-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 7438824
1-(4-methylphenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 122321567
(3R)-1-(4-chlorophenyl)-N-[2-(cyclopropanecarbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94168240
1-(4-methylphenyl)-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 122326458
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 122325404
2-methyl-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]propanamide
CID 121075210
N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 122353699
1-(4-chlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 2844952
tert-butyl N-[2-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]carbamate
CID 29131189
2-(2-chloro-6-fluorophenyl)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]acetamide
CID 122295266
(3S)-1-(4-chlorophenyl)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 122291104

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide (CID 122295155) is 1-(4-chlorophenyl)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide is Cc1cc(N2CCOCC2)nc(NCCNC(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UUSFMBKDOMVQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN6O3/c1-15-12-19(28-8-10-32-11-9-28)27-22(26-15)25-7-6-24-21(31)16-13-20(30)29(14-16)18-4-2-17(23)3-5-18/h2-5,12,16H,6-11,13-14H2,1H3,(H,24,31)(H,25,26,27).
What are the key properties of 1-(4-chlorophenyl)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-chlorophenyl)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 458.95 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 122295155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).