N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-(4-phenylpiperidin-1-yl)acetamide

C27H32N6O2 — CID 22379084

IUPACN-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-(4-phenylpiperidin-1-yl)acetamide
SMILESCC(=O)NCCNc1cc(NC(=O)CN2CCC(c3ccccc3)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C27H32N6O2/c1-20(34)28-14-15-29-24-18-25(32-27(31-24)23-10-6-3-7-11-23)30-26(35)19-33-16-12-22(13-17-33)21-8-4-2-5-9-21/h2-11,18,22H,12-17,19H2,1H3,(H,28,34)(H2,29,30,31,32,35)
InChIKeyRASRKBITIJZDJW-UHFFFAOYSA-N
MW472.59 g/mol
LogP3.51
Rot. Bonds9

About N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-(4-phenylpiperidin-1-yl)acetamide

N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-(4-phenylpiperidin-1-yl)acetamide (PubChem CID 22379084) has the molecular formula C27H32N6O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-(4-phenylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-(4-phenylpiperidin-1-yl)acetamide
PubChem CID22379084
Molecular FormulaC27H32N6O2
Molecular Weight472.59 g/mol
Exact Mass472.26
IUPAC NameN-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-(4-phenylpiperidin-1-yl)acetamide
SMILESCC(=O)NCCNc1cc(NC(=O)CN2CCC(c3ccccc3)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C27H32N6O2/c1-20(34)28-14-15-29-24-18-25(32-27(31-24)23-10-6-3-7-11-23)30-26(35)19-33-16-12-22(13-17-33)21-8-4-2-5-9-21/h2-11,18,22H,12-17,19H2,1H3,(H,28,34)(H2,29,30,31,32,35)
InChIKeyRASRKBITIJZDJW-UHFFFAOYSA-N
XLogP3.51
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-(4-phenylpiperidin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]acetamide
CID 22378710
N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22378930
N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 22378889
N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)acetamide
CID 68534672
N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-1-benzoylpiperidine-4-carboxamide
CID 68535301
N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide
CID 22379236
N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoacetamide
CID 22378844
2-(4-phenylpiperidin-1-yl)-N-propylacetamide
CID 134001849
N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoacetamide
CID 68534819
N-[2-[[6-(2-acetamidoethylamino)-2-(4-chlorophenyl)pyrimidin-4-yl]amino]ethyl]-2-(2-methylphenyl)acetamide
CID 22353297
N-[2-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethylamino]-2-oxoethyl]-4-chlorobenzamide
CID 22378999
N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-N'-methyl-N'-(2-phenylethyl)oxamide
CID 22379172

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-(4-phenylpiperidin-1-yl)acetamide?
The IUPAC name of N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-(4-phenylpiperidin-1-yl)acetamide (CID 22379084) is N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-(4-phenylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-(4-phenylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-(4-phenylpiperidin-1-yl)acetamide is CC(=O)NCCNc1cc(NC(=O)CN2CCC(c3ccccc3)CC2)nc(-c2ccccc2)n1.
What is the InChIKey of N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-(4-phenylpiperidin-1-yl)acetamide?
The InChIKey is RASRKBITIJZDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O2/c1-20(34)28-14-15-29-24-18-25(32-27(31-24)23-10-6-3-7-11-23)30-26(35)19-33-16-12-22(13-17-33)21-8-4-2-5-9-21/h2-11,18,22H,12-17,19H2,1H3,(H,28,34)(H2,29,30,31,32,35).
What are the key properties of N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-(4-phenylpiperidin-1-yl)acetamide?
N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-(4-phenylpiperidin-1-yl)acetamide has a molecular weight of 472.59 g/mol, XLogP of 3.51, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-(4-phenylpiperidin-1-yl)acetamide is sourced from PubChem (CID 22379084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).