N-ethyl-6-(2-ethylpiperidin-1-yl)-2-methyl-N-phenylpyrimidine-4-carboxamide

C21H28N4O — CID 112847159

IUPACN-ethyl-6-(2-ethylpiperidin-1-yl)-2-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCCC1CCCCN1c1cc(C(=O)N(CC)c2ccccc2)nc(C)n1
InChIInChI=1S/C21H28N4O/c1-4-17-11-9-10-14-25(17)20-15-19(22-16(3)23-20)21(26)24(5-2)18-12-7-6-8-13-18/h6-8,12-13,15,17H,4-5,9-11,14H2,1-3H3
InChIKeySIJRVKXFMHWIRL-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.22
Rot. Bonds5

About N-ethyl-6-(2-ethylpiperidin-1-yl)-2-methyl-N-phenylpyrimidine-4-carboxamide

N-ethyl-6-(2-ethylpiperidin-1-yl)-2-methyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 112847159) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-ethyl-6-(2-ethylpiperidin-1-yl)-2-methyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-(2-ethylpiperidin-1-yl)-2-methyl-N-phenylpyrimidine-4-carboxamide
PubChem CID112847159
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-ethyl-6-(2-ethylpiperidin-1-yl)-2-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCCC1CCCCN1c1cc(C(=O)N(CC)c2ccccc2)nc(C)n1
InChIInChI=1S/C21H28N4O/c1-4-17-11-9-10-14-25(17)20-15-19(22-16(3)23-20)21(26)24(5-2)18-12-7-6-8-13-18/h6-8,12-13,15,17H,4-5,9-11,14H2,1-3H3
InChIKeySIJRVKXFMHWIRL-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(diethylamino)phenyl]-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 112847196
N-ethyl-6-(2-ethylpiperidine-1-carbonyl)-N-phenylpyridine-2-carboxamide
CID 109099642
4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine
CID 112876455
6-(cyclopropylamino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109360869
[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365565
6-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369876
N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 112847153
6-(2-ethylpiperidin-1-yl)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365891
2-(2-ethylpiperidin-1-yl)quinoline-4-carboxylic acid
CID 43266682
N-ethyl-4-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
CID 112900846
[6-(2-ethylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 112852964
6-(2-ethylpiperidin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine
CID 112872082

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2-ethylpiperidin-1-yl)-2-methyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-ethyl-6-(2-ethylpiperidin-1-yl)-2-methyl-N-phenylpyrimidine-4-carboxamide (CID 112847159) is N-ethyl-6-(2-ethylpiperidin-1-yl)-2-methyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-ethyl-6-(2-ethylpiperidin-1-yl)-2-methyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-ethyl-6-(2-ethylpiperidin-1-yl)-2-methyl-N-phenylpyrimidine-4-carboxamide is CCC1CCCCN1c1cc(C(=O)N(CC)c2ccccc2)nc(C)n1.
What is the InChIKey of N-ethyl-6-(2-ethylpiperidin-1-yl)-2-methyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is SIJRVKXFMHWIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-4-17-11-9-10-14-25(17)20-15-19(22-16(3)23-20)21(26)24(5-2)18-12-7-6-8-13-18/h6-8,12-13,15,17H,4-5,9-11,14H2,1-3H3.
What are the key properties of N-ethyl-6-(2-ethylpiperidin-1-yl)-2-methyl-N-phenylpyrimidine-4-carboxamide?
N-ethyl-6-(2-ethylpiperidin-1-yl)-2-methyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2-ethylpiperidin-1-yl)-2-methyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112847159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).