N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C26H28N6O3 — CID 122297350

IUPACN-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCc1nc(Nc2ccc(NC(=O)C3CC(=O)N(c4ccccc4)C3)cc2)cc(N2CCOCC2)n1
InChIInChI=1S/C26H28N6O3/c1-18-27-23(16-24(28-18)31-11-13-35-14-12-31)29-20-7-9-21(10-8-20)30-26(34)19-15-25(33)32(17-19)22-5-3-2-4-6-22/h2-10,16,19H,11-15,17H2,1H3,(H,30,34)(H,27,28,29)
InChIKeyHSQHYTIXPRFHKU-UHFFFAOYSA-N
MW472.55 g/mol
LogP3.36
Rot. Bonds6

About N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 122297350) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID122297350
Molecular FormulaC26H28N6O3
Molecular Weight472.55 g/mol
Exact Mass472.22
IUPAC NameN-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCc1nc(Nc2ccc(NC(=O)C3CC(=O)N(c4ccccc4)C3)cc2)cc(N2CCOCC2)n1
InChIInChI=1S/C26H28N6O3/c1-18-27-23(16-24(28-18)31-11-13-35-14-12-31)29-20-7-9-21(10-8-20)30-26(34)19-15-25(33)32(17-19)22-5-3-2-4-6-22/h2-10,16,19H,11-15,17H2,1H3,(H,30,34)(H,27,28,29)
InChIKeyHSQHYTIXPRFHKU-UHFFFAOYSA-N
XLogP3.36
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-(3-bromophenyl)-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 122288127
N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 122316771
N-[4-(morpholine-4-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153816
(3S)-1-(3,4-dimethylphenyl)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 122291545
(3S)-1-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 25332767
5-oxo-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 46422723
N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide
CID 122297260
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122296373
N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 122297365
1-(3-bromophenyl)-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 122296825
1-(3-methoxyphenyl)-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 122317179
(3R)-1-(4-ethoxyphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1006945

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 122297350) is N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is Cc1nc(Nc2ccc(NC(=O)C3CC(=O)N(c4ccccc4)C3)cc2)cc(N2CCOCC2)n1.
What is the InChIKey of N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is HSQHYTIXPRFHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3/c1-18-27-23(16-24(28-18)31-11-13-35-14-12-31)29-20-7-9-21(10-8-20)30-26(34)19-15-25(33)32(17-19)22-5-3-2-4-6-22/h2-10,16,19H,11-15,17H2,1H3,(H,30,34)(H,27,28,29).
What are the key properties of N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 472.55 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 122297350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).