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

C21H28N4O — CID 109322351

IUPACN-(2-tert-butylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2C(C)(C)C)nc(N2CCCCC2)n1
InChIInChI=1S/C21H28N4O/c1-15-14-18(24-20(22-15)25-12-8-5-9-13-25)19(26)23-17-11-7-6-10-16(17)21(2,3)4/h6-7,10-11,14H,5,8-9,12-13H2,1-4H3,(H,23,26)
InChIKeyKNGYKKXDTNZCCL-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.33
Rot. Bonds3

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

N-(2-tert-butylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide (PubChem CID 109322351) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
PubChem CID109322351
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-(2-tert-butylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2C(C)(C)C)nc(N2CCCCC2)n1
InChIInChI=1S/C21H28N4O/c1-15-14-18(24-20(22-15)25-12-8-5-9-13-25)19(26)23-17-11-7-6-10-16(17)21(2,3)4/h6-7,10-11,14H,5,8-9,12-13H2,1-4H3,(H,23,26)
InChIKeyKNGYKKXDTNZCCL-UHFFFAOYSA-N
XLogP4.33
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334370
6-(azepan-1-yl)-N-(2-tert-butylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112847694
2-(azepan-1-yl)-N-(4-chloro-2-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334377
N-(4-chloro-2-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322360
2-(azepan-1-yl)-N-(2,4-difluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334416
N-(2-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324279
6-methyl-N-(3-methylphenyl)-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322331
N-(2,6-diethylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322349
6-methyl-N-(4-phenoxyphenyl)-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322398
N-(2-tert-butylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111813
2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334378
N-(4-fluorophenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109321642

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide (CID 109322351) is N-(2-tert-butylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccccc2C(C)(C)C)nc(N2CCCCC2)n1.
What is the InChIKey of N-(2-tert-butylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is KNGYKKXDTNZCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-15-14-18(24-20(22-15)25-12-8-5-9-13-25)19(26)23-17-11-7-6-10-16(17)21(2,3)4/h6-7,10-11,14H,5,8-9,12-13H2,1-4H3,(H,23,26).
What are the key properties of N-(2-tert-butylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide?
N-(2-tert-butylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109322351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).