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

C28H27N7O2 — CID 122316771

IUPACN-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCc1ccnc(Nc2cc(Nc3ccc(NC(=O)C4CC(=O)N(c5ccccc5)C4)cc3)nc(C)n2)c1
InChIInChI=1S/C28H27N7O2/c1-18-12-13-29-24(14-18)34-26-16-25(30-19(2)31-26)32-21-8-10-22(11-9-21)33-28(37)20-15-27(36)35(17-20)23-6-4-3-5-7-23/h3-14,16,20H,15,17H2,1-2H3,(H,33,37)(H2,29,30,31,32,34)
InChIKeyHUYUSKKAVWSIPO-UHFFFAOYSA-N
MW493.57 g/mol
LogP4.97
Rot. Bonds7

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

N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 122316771) has the molecular formula C28H27N7O2 and a molecular weight of 493.57 g/mol. Its IUPAC name is N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID122316771
Molecular FormulaC28H27N7O2
Molecular Weight493.57 g/mol
Exact Mass493.22
IUPAC NameN-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCc1ccnc(Nc2cc(Nc3ccc(NC(=O)C4CC(=O)N(c5ccccc5)C4)cc3)nc(C)n2)c1
InChIInChI=1S/C28H27N7O2/c1-18-12-13-29-24(14-18)34-26-16-25(30-19(2)31-26)32-21-8-10-22(11-9-21)33-28(37)20-15-27(36)35(17-20)23-6-4-3-5-7-23/h3-14,16,20H,15,17H2,1-2H3,(H,33,37)(H2,29,30,31,32,34)
InChIKeyHUYUSKKAVWSIPO-UHFFFAOYSA-N
XLogP4.97
TPSA112.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.57
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-(3-methoxyphenyl)-N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 122316773
1-(3-methoxyphenyl)-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 122317179
1-(4-methylphenyl)-5-oxo-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyrrolidine-3-carboxamide
CID 122315960
N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 122297350
1-(3-bromophenyl)-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 122296825
1-(3-bromophenyl)-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 122324311
(3S)-1-(4-chlorophenyl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 805098
(3S)-1-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 755530
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122296373
(3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 40500966
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 122321958
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122296328

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 122316771) is N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is Cc1ccnc(Nc2cc(Nc3ccc(NC(=O)C4CC(=O)N(c5ccccc5)C4)cc3)nc(C)n2)c1.
What is the InChIKey of N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is HUYUSKKAVWSIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N7O2/c1-18-12-13-29-24(14-18)34-26-16-25(30-19(2)31-26)32-21-8-10-22(11-9-21)33-28(37)20-15-27(36)35(17-20)23-6-4-3-5-7-23/h3-14,16,20H,15,17H2,1-2H3,(H,33,37)(H2,29,30,31,32,34).
What are the key properties of N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 493.57 g/mol, XLogP of 4.97, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 122316771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).