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

C18H23F3N6O — CID 172881167

IUPACN,1-dimethyl-N-[[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]imidazole-4-carboxamide
SMILESCc1nc(N2CCC(CN(C)C(=O)c3cn(C)cn3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C18H23F3N6O/c1-12-23-15(18(19,20)21)8-16(24-12)27-6-4-13(5-7-27)9-26(3)17(28)14-10-25(2)11-22-14/h8,10-11,13H,4-7,9H2,1-3H3
InChIKeyNMVGSAKWWDKJHQ-UHFFFAOYSA-N
MW396.42 g/mol
LogP2.53
Rot. Bonds4

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

N,1-dimethyl-N-[[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]imidazole-4-carboxamide (PubChem CID 172881167) has the molecular formula C18H23F3N6O and a molecular weight of 396.42 g/mol. Its IUPAC name is N,1-dimethyl-N-[[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]imidazole-4-carboxamide
PubChem CID172881167
Molecular FormulaC18H23F3N6O
Molecular Weight396.42 g/mol
Exact Mass396.19
IUPAC NameN,1-dimethyl-N-[[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]imidazole-4-carboxamide
SMILESCc1nc(N2CCC(CN(C)C(=O)c3cn(C)cn3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C18H23F3N6O/c1-12-23-15(18(19,20)21)8-16(24-12)27-6-4-13(5-7-27)9-26(3)17(28)14-10-25(2)11-22-14/h8,10-11,13H,4-7,9H2,1-3H3
InChIKeyNMVGSAKWWDKJHQ-UHFFFAOYSA-N
XLogP2.53
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,1-dimethyl-N-[[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]imidazole-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,1-dimethyl-N-[[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]imidazole-4-carboxamide
CID 172881133
N,1-dimethyl-N-[[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide
CID 172901096
N,1-dimethyl-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide
CID 172881011
N-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881971
N-[[1-(3-chloro-2-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881063
N-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881174
N,1-dimethyl-N-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide
CID 172881912
N-[[1-(4-cyanopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881312
N-[[1-(3-chloro-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881066
1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid
CID 102549339
N-[[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881954
N,1-dimethyl-N-[(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)methyl]imidazole-4-carboxamide
CID 172881779

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]imidazole-4-carboxamide?
The IUPAC name of N,1-dimethyl-N-[[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]imidazole-4-carboxamide (CID 172881167) is N,1-dimethyl-N-[[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]imidazole-4-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]imidazole-4-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]imidazole-4-carboxamide is Cc1nc(N2CCC(CN(C)C(=O)c3cn(C)cn3)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of N,1-dimethyl-N-[[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]imidazole-4-carboxamide?
The InChIKey is NMVGSAKWWDKJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N6O/c1-12-23-15(18(19,20)21)8-16(24-12)27-6-4-13(5-7-27)9-26(3)17(28)14-10-25(2)11-22-14/h8,10-11,13H,4-7,9H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]imidazole-4-carboxamide?
N,1-dimethyl-N-[[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]imidazole-4-carboxamide has a molecular weight of 396.42 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 172881167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).