2-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide

C20H26N4O2 — CID 109333798

IUPAC2-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCC1CCCCN1c1nc(C)cc(C(=O)Nc2ccc(OC)cc2)n1
InChIInChI=1S/C20H26N4O2/c1-4-16-7-5-6-12-24(16)20-21-14(2)13-18(23-20)19(25)22-15-8-10-17(26-3)11-9-15/h8-11,13,16H,4-7,12H2,1-3H3,(H,22,25)
InChIKeyOGMCOTNJNRPYOS-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.81
Rot. Bonds5

About 2-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide

2-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109333798) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109333798
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCC1CCCCN1c1nc(C)cc(C(=O)Nc2ccc(OC)cc2)n1
InChIInChI=1S/C20H26N4O2/c1-4-16-7-5-6-12-24(16)20-21-14(2)13-18(23-20)19(25)22-15-8-10-17(26-3)11-9-15/h8-11,13,16H,4-7,12H2,1-3H3,(H,22,25)
InChIKeyOGMCOTNJNRPYOS-UHFFFAOYSA-N
XLogP3.81
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109333831
2-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109326101
2-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330744
N-(4-ethoxyphenyl)-4-(2-ethylpiperidin-1-yl)pyridine-2-carboxamide
CID 109218049
2-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109312527
N-[4-(diethylamino)phenyl]-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 112847196
N-(4-ethoxyphenyl)-5-(2-ethylpiperidin-1-yl)pyridine-2-carboxamide
CID 109196271
N-[4-(2-ethylpiperidin-1-yl)phenyl]-3-methoxybenzamide
CID 112985435
2-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 112925995
2-(2-ethylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109312516
N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 112847153
ethyl 4-[[2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-yl]amino]benzoate
CID 112926026

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide (CID 109333798) is 2-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide is CCC1CCCCN1c1nc(C)cc(C(=O)Nc2ccc(OC)cc2)n1.
What is the InChIKey of 2-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is OGMCOTNJNRPYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-4-16-7-5-6-12-24(16)20-21-14(2)13-18(23-20)19(25)22-15-8-10-17(26-3)11-9-15/h8-11,13,16H,4-7,12H2,1-3H3,(H,22,25).
What are the key properties of 2-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
2-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109333798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).