N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide

C21H28N4O2 — CID 109372214

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(N3CCCC(C)C3)nc(C)n2)cc1
InChIInChI=1S/C21H28N4O2/c1-15-5-4-12-25(14-15)20-13-19(23-16(2)24-20)21(26)22-11-10-17-6-8-18(27-3)9-7-17/h6-9,13,15H,4-5,10-12,14H2,1-3H3,(H,22,26)
InChIKeyIDRSIYXCWDVCOF-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.00
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109372214) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
PubChem CID109372214
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(N3CCCC(C)C3)nc(C)n2)cc1
InChIInChI=1S/C21H28N4O2/c1-15-5-4-12-25(14-15)20-13-19(23-16(2)24-20)21(26)22-11-10-17-6-8-18(27-3)9-7-17/h6-9,13,15H,4-5,10-12,14H2,1-3H3,(H,22,26)
InChIKeyIDRSIYXCWDVCOF-UHFFFAOYSA-N
XLogP3.00
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109159052
N-(3-methoxyphenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 112847330
N-cycloheptyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109373974
N-[2-(4-methoxyphenoxy)ethyl]-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109124665
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109215399
N-[2-(3-methoxyphenyl)ethyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide
CID 46090943
N-[2-(4-chlorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109215433
6-(4-ethylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109367187
2-methyl-N-(3-phenylpropyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362757
6-anilino-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372217
N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112869178
N-[2-(4-methoxyphenyl)ethyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108964434

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide (CID 109372214) is N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide is COc1ccc(CCNC(=O)c2cc(N3CCCC(C)C3)nc(C)n2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is IDRSIYXCWDVCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-15-5-4-12-25(14-15)20-13-19(23-16(2)24-20)21(26)22-11-10-17-6-8-18(27-3)9-7-17/h6-9,13,15H,4-5,10-12,14H2,1-3H3,(H,22,26).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109372214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).