2-(4-chlorophenyl)-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide

C23H24ClN5O — CID 56922137

IUPAC2-(4-chlorophenyl)-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide
SMILESCc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C23H24ClN5O/c1-16-14-21(29-12-2-3-13-29)28-23(25-16)27-20-10-8-19(9-11-20)26-22(30)15-17-4-6-18(24)7-5-17/h4-11,14H,2-3,12-13,15H2,1H3,(H,26,30)(H,25,27,28)
InChIKeyBHZVGFHEWVJYSF-UHFFFAOYSA-N
MW421.93 g/mol
LogP4.96
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide

2-(4-chlorophenyl)-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide (PubChem CID 56922137) has the molecular formula C23H24ClN5O and a molecular weight of 421.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide
PubChem CID56922137
Molecular FormulaC23H24ClN5O
Molecular Weight421.93 g/mol
Exact Mass421.17
IUPAC Name2-(4-chlorophenyl)-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide
SMILESCc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C23H24ClN5O/c1-16-14-21(29-12-2-3-13-29)28-23(25-16)27-20-10-8-19(9-11-20)26-22(30)15-17-4-6-18(24)7-5-17/h4-11,14H,2-3,12-13,15H2,1H3,(H,26,30)(H,25,27,28)
InChIKeyBHZVGFHEWVJYSF-UHFFFAOYSA-N
XLogP4.96
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 122287655
2-(2,4-dichlorophenoxy)-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 122287476
N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122287908
2,5-dichloro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 121032327
1-(3-chlorophenyl)-3-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]urea
CID 27478215
2-(4-chlorophenyl)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 122287191
4-chloro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 27478593
5-bromo-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]furan-2-carboxamide
CID 27478387
N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]cyclopentanecarboxamide
CID 18566685
1-(3,5-difluorophenyl)-3-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]urea
CID 70702897
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 122287923
N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]furan-2-carboxamide
CID 44522249

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide (CID 56922137) is 2-(4-chlorophenyl)-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide is Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide?
The InChIKey is BHZVGFHEWVJYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O/c1-16-14-21(29-12-2-3-13-29)28-23(25-16)27-20-10-8-19(9-11-20)26-22(30)15-17-4-6-18(24)7-5-17/h4-11,14H,2-3,12-13,15H2,1H3,(H,26,30)(H,25,27,28).
What are the key properties of 2-(4-chlorophenyl)-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide?
2-(4-chlorophenyl)-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide has a molecular weight of 421.93 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 56922137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).