2-methyl-6-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide

C17H28N4O — CID 109364151

IUPAC2-methyl-6-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1cc(N2CCC(C)CC2)nc(C)n1
InChIInChI=1S/C17H28N4O/c1-4-5-6-9-18-17(22)15-12-16(20-14(3)19-15)21-10-7-13(2)8-11-21/h12-13H,4-11H2,1-3H3,(H,18,22)
InChIKeyNSXDCGSVKUIPII-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.94
Rot. Bonds6

About 2-methyl-6-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide

2-methyl-6-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide (PubChem CID 109364151) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-methyl-6-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide
PubChem CID109364151
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name2-methyl-6-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1cc(N2CCC(C)CC2)nc(C)n1
InChIInChI=1S/C17H28N4O/c1-4-5-6-9-18-17(22)15-12-16(20-14(3)19-15)21-10-7-13(2)8-11-21/h12-13H,4-11H2,1-3H3,(H,18,22)
InChIKeyNSXDCGSVKUIPII-UHFFFAOYSA-N
XLogP2.94
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-6-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-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

2-methyl-N-pentyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362764
N-butyl-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109361753
N-butyl-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109361747
N-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109361785
N-[(4-fluorophenyl)methyl]-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364108
N-(2,6-diethylphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364179
2-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide
CID 109299018
6-(4-ethylpiperazin-1-yl)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109365167
[2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364088
2-methyl-N-propyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109360246
N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364113
N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpyrimidine-4-carboxamide
CID 109361802

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-6-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide (CID 109364151) is 2-methyl-6-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-6-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide is CCCCCNC(=O)c1cc(N2CCC(C)CC2)nc(C)n1.
What is the InChIKey of 2-methyl-6-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide?
The InChIKey is NSXDCGSVKUIPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-4-5-6-9-18-17(22)15-12-16(20-14(3)19-15)21-10-7-13(2)8-11-21/h12-13H,4-11H2,1-3H3,(H,18,22).
What are the key properties of 2-methyl-6-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide?
2-methyl-6-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide is sourced from PubChem (CID 109364151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).