4-methyl-N-phenyl-2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]pyrimidine-5-carboxamide

C26H28N4O2 — CID 92639795

IUPAC4-methyl-N-phenyl-2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]pyrimidine-5-carboxamide
SMILESCc1nc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)ncc1C(=O)Nc1ccccc1
InChIInChI=1S/C26H28N4O2/c1-19-23(26(32)29-22-12-6-3-7-13-22)17-27-25(28-19)21-11-8-16-30(18-21)24(31)15-14-20-9-4-2-5-10-20/h2-7,9-10,12-13,17,21H,8,11,14-16,18H2,1H3,(H,29,32)/t21-/m1/s1
InChIKeyMHQODYAXQLQMBA-OAQYLSRUSA-N
MW428.54 g/mol
LogP4.38
Rot. Bonds6

About 4-methyl-N-phenyl-2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]pyrimidine-5-carboxamide

4-methyl-N-phenyl-2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]pyrimidine-5-carboxamide (PubChem CID 92639795) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 4-methyl-N-phenyl-2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-phenyl-2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]pyrimidine-5-carboxamide
PubChem CID92639795
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name4-methyl-N-phenyl-2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]pyrimidine-5-carboxamide
SMILESCc1nc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)ncc1C(=O)Nc1ccccc1
InChIInChI=1S/C26H28N4O2/c1-19-23(26(32)29-22-12-6-3-7-13-22)17-27-25(28-19)21-11-8-16-30(18-21)24(31)15-14-20-9-4-2-5-10-20/h2-7,9-10,12-13,17,21H,8,11,14-16,18H2,1H3,(H,29,32)/t21-/m1/s1
InChIKeyMHQODYAXQLQMBA-OAQYLSRUSA-N
XLogP4.38
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 ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-phenyl-2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]pyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-N-phenyl-2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]pyrimidine-5-carboxamide (CID 92639795) is 4-methyl-N-phenyl-2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-N-phenyl-2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-N-phenyl-2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]pyrimidine-5-carboxamide is Cc1nc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)ncc1C(=O)Nc1ccccc1.
What is the InChIKey of 4-methyl-N-phenyl-2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]pyrimidine-5-carboxamide?
The InChIKey is MHQODYAXQLQMBA-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-19-23(26(32)29-22-12-6-3-7-13-22)17-27-25(28-19)21-11-8-16-30(18-21)24(31)15-14-20-9-4-2-5-10-20/h2-7,9-10,12-13,17,21H,8,11,14-16,18H2,1H3,(H,29,32)/t21-/m1/s1.
What are the key properties of 4-methyl-N-phenyl-2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]pyrimidine-5-carboxamide?
4-methyl-N-phenyl-2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]pyrimidine-5-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-phenyl-2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 92639795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).