N,6-dimethyl-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide

C17H22N4OS — CID 56731013

IUPACN,6-dimethyl-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2cccs2)nc(N2CCCCC2)n1
InChIInChI=1S/C17H22N4OS/c1-13-11-15(16(22)20(2)12-14-7-6-10-23-14)19-17(18-13)21-8-4-3-5-9-21/h6-7,10-11H,3-5,8-9,12H2,1-2H3
InChIKeyQXUJBMWMAWABNL-UHFFFAOYSA-N
MW330.46 g/mol
LogP3.11
Rot. Bonds4

About N,6-dimethyl-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide

N,6-dimethyl-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 56731013) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is N,6-dimethyl-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID56731013
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC NameN,6-dimethyl-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2cccs2)nc(N2CCCCC2)n1
InChIInChI=1S/C17H22N4OS/c1-13-11-15(16(22)20(2)12-14-7-6-10-23-14)19-17(18-13)21-8-4-3-5-9-21/h6-7,10-11H,3-5,8-9,12H2,1-2H3
InChIKeyQXUJBMWMAWABNL-UHFFFAOYSA-N
XLogP3.11
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dimethylamino)-N,6-dimethyl-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide
CID 71689290
N,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109321600
6-amino-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 62238783
4-N-methyl-6-piperidin-1-yl-4-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80774971
N-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 18114181
N,3,6-trimethyl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18162206
N-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 63050087
2-(azepan-1-yl)-N-benzyl-N-methylpyrimidine-4-carboxamide
CID 109305153
[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 56700437
N,2,3-trimethyl-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide
CID 51205761
N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322286
5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56712236

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of N,6-dimethyl-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide (CID 56731013) is N,6-dimethyl-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N,6-dimethyl-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for N,6-dimethyl-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)N(C)Cc2cccs2)nc(N2CCCCC2)n1.
What is the InChIKey of N,6-dimethyl-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is QXUJBMWMAWABNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-13-11-15(16(22)20(2)12-14-7-6-10-23-14)19-17(18-13)21-8-4-3-5-9-21/h6-7,10-11H,3-5,8-9,12H2,1-2H3.
What are the key properties of N,6-dimethyl-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide?
N,6-dimethyl-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 330.46 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 56731013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).