N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide

C21H28N4O — CID 112847153

IUPACN-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide
SMILESCCC1CCCCN1c1cc(C(=O)Nc2ccc(C)c(C)c2)nc(C)n1
InChIInChI=1S/C21H28N4O/c1-5-18-8-6-7-11-25(18)20-13-19(22-16(4)23-20)21(26)24-17-10-9-14(2)15(3)12-17/h9-10,12-13,18H,5-8,11H2,1-4H3,(H,24,26)
InChIKeyIALSEXUCPKNQEV-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.42
Rot. Bonds4

About N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide

N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide (PubChem CID 112847153) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide
PubChem CID112847153
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide
SMILESCCC1CCCCN1c1cc(C(=O)Nc2ccc(C)c(C)c2)nc(C)n1
InChIInChI=1S/C21H28N4O/c1-5-18-8-6-7-11-25(18)20-13-19(22-16(4)23-20)21(26)24-17-10-9-14(2)15(3)12-17/h9-10,12-13,18H,5-8,11H2,1-4H3,(H,24,26)
InChIKeyIALSEXUCPKNQEV-UHFFFAOYSA-N
XLogP4.42
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.42
H-Bond Donors ≤ 51
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
4-[[4-chloro-6-[(2S)-2-ethylpiperidin-1-yl]pyridine-2-carbonyl]amino]-2-methylbenzoic acid
CID 171085229
N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
CID 112876470
6-(2-ethylpiperidin-1-yl)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365891
6-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369876
4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine
CID 112876455
N-(3,4-dimethylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109366926
[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365565
1-[4-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112876501
N-(3-chloro-4-methylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362806
6-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112847704
N-ethyl-6-(2-ethylpiperidin-1-yl)-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112847159

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide (CID 112847153) is N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide is CCC1CCCCN1c1cc(C(=O)Nc2ccc(C)c(C)c2)nc(C)n1.
What is the InChIKey of N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is IALSEXUCPKNQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-5-18-8-6-7-11-25(18)20-13-19(22-16(4)23-20)21(26)24-17-10-9-14(2)15(3)12-17/h9-10,12-13,18H,5-8,11H2,1-4H3,(H,24,26).
What are the key properties of N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide?
N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112847153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).