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

C25H29N5O2 — CID 121090418

IUPAC2-(4-methoxyphenyl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(Nc3cc(C)nc(N4CCCCC4)n3)cc2)cc1
InChIInChI=1S/C25H29N5O2/c1-18-16-23(29-25(26-18)30-14-4-3-5-15-30)27-20-8-10-21(11-9-20)28-24(31)17-19-6-12-22(32-2)13-7-19/h6-13,16H,3-5,14-15,17H2,1-2H3,(H,28,31)(H,26,27,29)
InChIKeySXZPGKQTPUDSSN-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.71
Rot. Bonds7

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

2-(4-methoxyphenyl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide (PubChem CID 121090418) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
PubChem CID121090418
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name2-(4-methoxyphenyl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(Nc3cc(C)nc(N4CCCCC4)n3)cc2)cc1
InChIInChI=1S/C25H29N5O2/c1-18-16-23(29-25(26-18)30-14-4-3-5-15-30)27-20-8-10-21(11-9-20)28-24(31)17-19-6-12-22(32-2)13-7-19/h6-13,16H,3-5,14-15,17H2,1-2H3,(H,28,31)(H,26,27,29)
InChIKeySXZPGKQTPUDSSN-UHFFFAOYSA-N
XLogP4.71
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenoxy)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122295632
N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide
CID 121090371
cyclohexyl-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 27477448
N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-phenylmethoxyacetamide
CID 122295935
2-(4-fluorophenyl)-1-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 121031968
2-(1H-indol-3-yl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 121090431
benzyl N-[2-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]anilino]-2-oxoethyl]carbamate
CID 122295713
3,4-dimethoxy-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 53047832
2-(4-methoxyphenyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 72718286
2-ethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]butanamide
CID 121090365
2-(5-bromo-1H-indol-3-yl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 156868185
2-(5-hydroxy-1H-indol-3-yl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 156868234

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide (CID 121090418) is 2-(4-methoxyphenyl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide is COc1ccc(CC(=O)Nc2ccc(Nc3cc(C)nc(N4CCCCC4)n3)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide?
The InChIKey is SXZPGKQTPUDSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-18-16-23(29-25(26-18)30-14-4-3-5-15-30)27-20-8-10-21(11-9-20)28-24(31)17-19-6-12-22(32-2)13-7-19/h6-13,16H,3-5,14-15,17H2,1-2H3,(H,28,31)(H,26,27,29).
What are the key properties of 2-(4-methoxyphenyl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide?
2-(4-methoxyphenyl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide has a molecular weight of 431.54 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide is sourced from PubChem (CID 121090418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).