2-methyl-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide

C18H22N4O — CID 109363513

IUPAC2-methyl-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(N3CCCCC3)nc(C)n2)cc1
InChIInChI=1S/C18H22N4O/c1-13-6-8-15(9-7-13)21-18(23)16-12-17(20-14(2)19-16)22-10-4-3-5-11-22/h6-9,12H,3-5,10-11H2,1-2H3,(H,21,23)
InChIKeyKFRWYJOBLYDGRY-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.34
Rot. Bonds3

About 2-methyl-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide

2-methyl-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide (PubChem CID 109363513) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-methyl-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
PubChem CID109363513
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-methyl-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(N3CCCCC3)nc(C)n2)cc1
InChIInChI=1S/C18H22N4O/c1-13-6-8-15(9-7-13)21-18(23)16-12-17(20-14(2)19-16)22-10-4-3-5-11-22/h6-9,12H,3-5,10-11H2,1-2H3,(H,21,23)
InChIKeyKFRWYJOBLYDGRY-UHFFFAOYSA-N
XLogP3.34
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(azepan-1-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112847676
N-(4-acetamidophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362830
2-methyl-6-pyrrolidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109362838
N-(4-cyanophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362875
6-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112847704
N-(3-chloro-4-methylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362806
2-methyl-N-(4-methylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109373247
2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 109363576
N-(3-chloro-4-fluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362807
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109371649
N-(2,6-difluorophenyl)-2-methyl-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 109363612
N-(4-acetylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109366970

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide (CID 109363513) is 2-methyl-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2cc(N3CCCCC3)nc(C)n2)cc1.
What is the InChIKey of 2-methyl-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is KFRWYJOBLYDGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-6-8-15(9-7-13)21-18(23)16-12-17(20-14(2)19-16)22-10-4-3-5-11-22/h6-9,12H,3-5,10-11H2,1-2H3,(H,21,23).
What are the key properties of 2-methyl-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide?
2-methyl-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109363513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).