N-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide

C16H21BrN6O — CID 172881174

IUPACN-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
SMILESCN(CC1CCN(c2ncc(Br)cn2)CC1)C(=O)c1cn(C)cn1
InChIInChI=1S/C16H21BrN6O/c1-21-10-14(20-11-21)15(24)22(2)9-12-3-5-23(6-4-12)16-18-7-13(17)8-19-16/h7-8,10-12H,3-6,9H2,1-2H3
InChIKeyXFRMFTCVMODUSX-UHFFFAOYSA-N
MW393.29 g/mol
LogP1.96
Rot. Bonds4

About N-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide

N-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide (PubChem CID 172881174) has the molecular formula C16H21BrN6O and a molecular weight of 393.29 g/mol. Its IUPAC name is N-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
PubChem CID172881174
Molecular FormulaC16H21BrN6O
Molecular Weight393.29 g/mol
Exact Mass392.10
IUPAC NameN-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
SMILESCN(CC1CCN(c2ncc(Br)cn2)CC1)C(=O)c1cn(C)cn1
InChIInChI=1S/C16H21BrN6O/c1-21-10-14(20-11-21)15(24)22(2)9-12-3-5-23(6-4-12)16-18-7-13(17)8-19-16/h7-8,10-12H,3-6,9H2,1-2H3
InChIKeyXFRMFTCVMODUSX-UHFFFAOYSA-N
XLogP1.96
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.29
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(4-cyanopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881312
N-[[1-(6-bromoquinazolin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172904251
N-[[1-(3-chloro-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881066
N-[[1-(3-chloro-2-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881063
N,1-dimethyl-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide
CID 172881011
N,1-dimethyl-N-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide
CID 172881912
N,1-dimethyl-N-[(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)methyl]imidazole-4-carboxamide
CID 172881779
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-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]imidazole-4-carboxamide
CID 172881133
N-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881971
N,1-dimethyl-N-[[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]imidazole-4-carboxamide
CID 172881167
N,1-dimethyl-N-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 172881038

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide?
The IUPAC name of N-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide (CID 172881174) is N-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide.
What is the SMILES notation for N-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide?
The canonical SMILES for N-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide is CN(CC1CCN(c2ncc(Br)cn2)CC1)C(=O)c1cn(C)cn1.
What is the InChIKey of N-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide?
The InChIKey is XFRMFTCVMODUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN6O/c1-21-10-14(20-11-21)15(24)22(2)9-12-3-5-23(6-4-12)16-18-7-13(17)8-19-16/h7-8,10-12H,3-6,9H2,1-2H3.
What are the key properties of N-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide?
N-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide has a molecular weight of 393.29 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide is sourced from PubChem (CID 172881174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).