N,1-dimethyl-N-[[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide

C18H26N6OS — CID 172901096

IUPACN,1-dimethyl-N-[[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide
SMILESCSc1nc(C)cc(N2CCC(CN(C)C(=O)c3cn(C)cn3)CC2)n1
InChIInChI=1S/C18H26N6OS/c1-13-9-16(21-18(20-13)26-4)24-7-5-14(6-8-24)10-23(3)17(25)15-11-22(2)12-19-15/h9,11-12,14H,5-8,10H2,1-4H3
InChIKeyRZKKHYWCCXLQBD-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.23
Rot. Bonds5

About N,1-dimethyl-N-[[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide

N,1-dimethyl-N-[[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide (PubChem CID 172901096) has the molecular formula C18H26N6OS and a molecular weight of 374.51 g/mol. Its IUPAC name is N,1-dimethyl-N-[[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide
PubChem CID172901096
Molecular FormulaC18H26N6OS
Molecular Weight374.51 g/mol
Exact Mass374.19
IUPAC NameN,1-dimethyl-N-[[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide
SMILESCSc1nc(C)cc(N2CCC(CN(C)C(=O)c3cn(C)cn3)CC2)n1
InChIInChI=1S/C18H26N6OS/c1-13-9-16(21-18(20-13)26-4)24-7-5-14(6-8-24)10-23(3)17(25)15-11-22(2)12-19-15/h9,11-12,14H,5-8,10H2,1-4H3
InChIKeyRZKKHYWCCXLQBD-UHFFFAOYSA-N
XLogP2.23
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide?
The IUPAC name of N,1-dimethyl-N-[[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide (CID 172901096) is N,1-dimethyl-N-[[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide is CSc1nc(C)cc(N2CCC(CN(C)C(=O)c3cn(C)cn3)CC2)n1.
What is the InChIKey of N,1-dimethyl-N-[[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide?
The InChIKey is RZKKHYWCCXLQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6OS/c1-13-9-16(21-18(20-13)26-4)24-7-5-14(6-8-24)10-23(3)17(25)15-11-22(2)12-19-15/h9,11-12,14H,5-8,10H2,1-4H3.
What are the key properties of N,1-dimethyl-N-[[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide?
N,1-dimethyl-N-[[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 172901096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).