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

C25H29N5O2 — CID 122295935

IUPACN-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-phenylmethoxyacetamide
SMILESCc1cc(Nc2ccc(NC(=O)COCc3ccccc3)cc2)nc(N2CCCCC2)n1
InChIInChI=1S/C25H29N5O2/c1-19-16-23(29-25(26-19)30-14-6-3-7-15-30)27-21-10-12-22(13-11-21)28-24(31)18-32-17-20-8-4-2-5-9-20/h2,4-5,8-13,16H,3,6-7,14-15,17-18H2,1H3,(H,28,31)(H,26,27,29)
InChIKeyJWZLFEMRAXDDIU-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.67
Rot. Bonds8

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

N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-phenylmethoxyacetamide (PubChem CID 122295935) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-phenylmethoxyacetamide
PubChem CID122295935
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC NameN-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-phenylmethoxyacetamide
SMILESCc1cc(Nc2ccc(NC(=O)COCc3ccccc3)cc2)nc(N2CCCCC2)n1
InChIInChI=1S/C25H29N5O2/c1-19-16-23(29-25(26-19)30-14-6-3-7-15-30)27-21-10-12-22(13-11-21)28-24(31)18-32-17-20-8-4-2-5-9-20/h2,4-5,8-13,16H,3,6-7,14-15,17-18H2,1H3,(H,28,31)(H,26,27,29)
InChIKeyJWZLFEMRAXDDIU-UHFFFAOYSA-N
XLogP4.67
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide
CID 121090371
benzyl N-[2-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]anilino]-2-oxoethyl]carbamate
CID 122295713
2-(4-methoxyphenyl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 121090418
2-(4-methoxyphenoxy)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122295632
N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide
CID 122297755
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide
CID 122296431
4-(1,3-dioxoisoindol-2-yl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]butanamide
CID 122295907
2-(1H-indol-3-yl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 121090431
1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-phenylpyrazole-5-carboxamide
CID 122295622
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide
CID 122317237
2-methoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122325940
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122295755

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-phenylmethoxyacetamide?
The IUPAC name of N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-phenylmethoxyacetamide (CID 122295935) is N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-phenylmethoxyacetamide?
The canonical SMILES for N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-phenylmethoxyacetamide is Cc1cc(Nc2ccc(NC(=O)COCc3ccccc3)cc2)nc(N2CCCCC2)n1.
What is the InChIKey of N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-phenylmethoxyacetamide?
The InChIKey is JWZLFEMRAXDDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-19-16-23(29-25(26-19)30-14-6-3-7-15-30)27-21-10-12-22(13-11-21)28-24(31)18-32-17-20-8-4-2-5-9-20/h2,4-5,8-13,16H,3,6-7,14-15,17-18H2,1H3,(H,28,31)(H,26,27,29).
What are the key properties of N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-phenylmethoxyacetamide?
N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-phenylmethoxyacetamide has a molecular weight of 431.54 g/mol, XLogP of 4.67, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-phenylmethoxyacetamide is sourced from PubChem (CID 122295935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).