N-benzyl-4-methyl-2-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide

C26H28N4O2 — CID 92639623

IUPACN-benzyl-4-methyl-2-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide
SMILESCc1nc([C@@H]2CCCCN2C(=O)Cc2ccccc2)ncc1C(=O)NCc1ccccc1
InChIInChI=1S/C26H28N4O2/c1-19-22(26(32)28-17-21-12-6-3-7-13-21)18-27-25(29-19)23-14-8-9-15-30(23)24(31)16-20-10-4-2-5-11-20/h2-7,10-13,18,23H,8-9,14-17H2,1H3,(H,28,32)/t23-/m0/s1
InChIKeyFPGOIDUSZCCKGK-QHCPKHFHSA-N
MW428.54 g/mol
LogP4.01
Rot. Bonds6

About N-benzyl-4-methyl-2-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide

N-benzyl-4-methyl-2-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide (PubChem CID 92639623) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-benzyl-4-methyl-2-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-2-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide
PubChem CID92639623
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC NameN-benzyl-4-methyl-2-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide
SMILESCc1nc([C@@H]2CCCCN2C(=O)Cc2ccccc2)ncc1C(=O)NCc1ccccc1
InChIInChI=1S/C26H28N4O2/c1-19-22(26(32)28-17-21-12-6-3-7-13-21)18-27-25(29-19)23-14-8-9-15-30(23)24(31)16-20-10-4-2-5-11-20/h2-7,10-13,18,23H,8-9,14-17H2,1H3,(H,28,32)/t23-/m0/s1
InChIKeyFPGOIDUSZCCKGK-QHCPKHFHSA-N
XLogP4.01
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-4-methyl-2-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide 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-benzyl-2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 92639588
2-(1-benzoylpiperidin-2-yl)-N-benzyl-4-methylpyrimidine-5-carboxamide
CID 110247749
N-benzyl-4-methyl-2-[(2R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-2-yl]pyrimidine-5-carboxamide
CID 92639592
N-benzyl-4-methyl-2-[(2S)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]pyrimidine-5-carboxamide
CID 92639580
2-[(2R)-1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637297
N-benzyl-2-[(2R)-1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 92637069
2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92639602
N-benzyl-4-methyl-2-[(2S)-1-[2-(2-propan-2-ylimidazol-1-yl)acetyl]pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 92637119
N-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(3-methylbutanoyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110247769
4-methyl-N-phenyl-2-[(2R)-1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92637317
2-[(2S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637229
N-benzyl-2-[1-[(4-ethoxyphenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 175660224

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-2-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-4-methyl-2-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide (CID 92639623) is N-benzyl-4-methyl-2-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-4-methyl-2-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-4-methyl-2-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide is Cc1nc([C@@H]2CCCCN2C(=O)Cc2ccccc2)ncc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-methyl-2-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide?
The InChIKey is FPGOIDUSZCCKGK-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-19-22(26(32)28-17-21-12-6-3-7-13-21)18-27-25(29-19)23-14-8-9-15-30(23)24(31)16-20-10-4-2-5-11-20/h2-7,10-13,18,23H,8-9,14-17H2,1H3,(H,28,32)/t23-/m0/s1.
What are the key properties of N-benzyl-4-methyl-2-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide?
N-benzyl-4-methyl-2-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-2-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 92639623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).