N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide

C17H22N4OS — CID 49432411

IUPACN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide
SMILESCc1cc(N2CCC(NC(=O)c3ccc(C)s3)CC2)nc(C)n1
InChIInChI=1S/C17H22N4OS/c1-11-10-16(19-13(3)18-11)21-8-6-14(7-9-21)20-17(22)15-5-4-12(2)23-15/h4-5,10,14H,6-9H2,1-3H3,(H,20,22)
InChIKeyWPSVBKMKOHHSQK-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.86
Rot. Bonds3

About N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide

N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide (PubChem CID 49432411) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide
PubChem CID49432411
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide
SMILESCc1cc(N2CCC(NC(=O)c3ccc(C)s3)CC2)nc(C)n1
InChIInChI=1S/C17H22N4OS/c1-11-10-16(19-13(3)18-11)21-8-6-14(7-9-21)20-17(22)15-5-4-12(2)23-15/h4-5,10,14H,6-9H2,1-3H3,(H,20,22)
InChIKeyWPSVBKMKOHHSQK-UHFFFAOYSA-N
XLogP2.86
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-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

5-methyl-N-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]thiophene-2-carboxamide
CID 133469263
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 126779994
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 71977383
N-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 75470831
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-ethoxybenzamide
CID 136512747
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide
CID 119897687
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-ethoxybenzamide
CID 136512750
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-fluoro-1-benzofuran-2-carboxamide
CID 126783424
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-(propan-2-ylamino)piperidine-1-carboxamide
CID 126778638
N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49432414
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 119897645
(2S,4S)-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide
CID 120638469

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide (CID 49432411) is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide is Cc1cc(N2CCC(NC(=O)c3ccc(C)s3)CC2)nc(C)n1.
What is the InChIKey of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide?
The InChIKey is WPSVBKMKOHHSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-11-10-16(19-13(3)18-11)21-8-6-14(7-9-21)20-17(22)15-5-4-12(2)23-15/h4-5,10,14H,6-9H2,1-3H3,(H,20,22).
What are the key properties of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide?
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide has a molecular weight of 330.46 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 49432411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).