6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide

C23H24N4O — CID 112853043

IUPAC6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide
SMILESCC1CCN(c2cc(C(=O)Nc3ccccc3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C23H24N4O/c1-17-12-14-27(15-13-17)21-16-20(23(28)24-19-10-6-3-7-11-19)25-22(26-21)18-8-4-2-5-9-18/h2-11,16-17H,12-15H2,1H3,(H,24,28)
InChIKeyARHCOTKIESFISH-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.63
Rot. Bonds4

About 6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide

6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide (PubChem CID 112853043) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide
PubChem CID112853043
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide
SMILESCC1CCN(c2cc(C(=O)Nc3ccccc3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C23H24N4O/c1-17-12-14-27(15-13-17)21-16-20(23(28)24-19-10-6-3-7-11-19)25-22(26-21)18-8-4-2-5-9-18/h2-11,16-17H,12-15H2,1H3,(H,24,28)
InChIKeyARHCOTKIESFISH-UHFFFAOYSA-N
XLogP4.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-6-(4-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carboxamide
CID 112853038
N-(3-acetylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852692
N-methyl-6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide
CID 112853044
N-(3,5-dimethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide
CID 112853445
N-(2-methylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852671
6-(azepan-1-yl)-N-(3-cyanophenyl)-2-phenylpyrimidine-4-carboxamide
CID 112854430
N-(3-cyanophenyl)-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 112852927
N-(4-cyanophenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364243
N-(3-methoxyphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364198
N-(2-acetylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide
CID 58148531
2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 109363576
2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365472

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide (CID 112853043) is 6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide is CC1CCN(c2cc(C(=O)Nc3ccccc3)nc(-c3ccccc3)n2)CC1.
What is the InChIKey of 6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide?
The InChIKey is ARHCOTKIESFISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-17-12-14-27(15-13-17)21-16-20(23(28)24-19-10-6-3-7-11-19)25-22(26-21)18-8-4-2-5-9-18/h2-11,16-17H,12-15H2,1H3,(H,24,28).
What are the key properties of 6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide?
6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112853043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).