N-benzyl-N-ethyl-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide

C21H28N4O — CID 109364114

IUPACN-benzyl-N-ethyl-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(N2CCC(C)CC2)nc(C)n1
InChIInChI=1S/C21H28N4O/c1-4-24(15-18-8-6-5-7-9-18)21(26)19-14-20(23-17(3)22-19)25-12-10-16(2)11-13-25/h5-9,14,16H,4,10-13,15H2,1-3H3
InChIKeyJCAFFOLOHZJKDP-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.68
Rot. Bonds5

About N-benzyl-N-ethyl-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide

N-benzyl-N-ethyl-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109364114) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
PubChem CID109364114
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-benzyl-N-ethyl-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(N2CCC(C)CC2)nc(C)n1
InChIInChI=1S/C21H28N4O/c1-4-24(15-18-8-6-5-7-9-18)21(26)19-14-20(23-17(3)22-19)25-12-10-16(2)11-13-25/h5-9,14,16H,4,10-13,15H2,1-3H3
InChIKeyJCAFFOLOHZJKDP-UHFFFAOYSA-N
XLogP3.68
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-benzylpiperidin-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109373405
N-benzyl-N-ethyl-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide
CID 53171948
N-benzyl-N,2-dimethyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112869160
N-benzyl-6-(butan-2-ylamino)-N-ethyl-2-methylpyrimidine-4-carboxamide
CID 109362341
6-(4-acetylpiperazin-1-yl)-N-benzyl-N,2-dimethylpyrimidine-4-carboxamide
CID 109367712
N-benzyl-N-ethyl-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109212514
[2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364088
N,N-diethyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342197
N-(2,6-diethylphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364179
N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)pyrimidine-5-carboxamide
CID 11518649
2-methyl-6-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide
CID 109364151
N-[(4-fluorophenyl)methyl]-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364108

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide (CID 109364114) is N-benzyl-N-ethyl-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide is CCN(Cc1ccccc1)C(=O)c1cc(N2CCC(C)CC2)nc(C)n1.
What is the InChIKey of N-benzyl-N-ethyl-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is JCAFFOLOHZJKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-4-24(15-18-8-6-5-7-9-18)21(26)19-14-20(23-17(3)22-19)25-12-10-16(2)11-13-25/h5-9,14,16H,4,10-13,15H2,1-3H3.
What are the key properties of N-benzyl-N-ethyl-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
N-benzyl-N-ethyl-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109364114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).