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

C17H21N7O — CID 172881312

IUPACN-[[1-(4-cyanopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
SMILESCN(CC1CCN(c2nccc(C#N)n2)CC1)C(=O)c1cn(C)cn1
InChIInChI=1S/C17H21N7O/c1-22-11-15(20-12-22)16(25)23(2)10-13-4-7-24(8-5-13)17-19-6-3-14(9-18)21-17/h3,6,11-13H,4-5,7-8,10H2,1-2H3
InChIKeySDYLAMWZHCSCLJ-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.07
Rot. Bonds4

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

N-[[1-(4-cyanopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide (PubChem CID 172881312) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[[1-(4-cyanopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-cyanopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
PubChem CID172881312
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC NameN-[[1-(4-cyanopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
SMILESCN(CC1CCN(c2nccc(C#N)n2)CC1)C(=O)c1cn(C)cn1
InChIInChI=1S/C17H21N7O/c1-22-11-15(20-12-22)16(25)23(2)10-13-4-7-24(8-5-13)17-19-6-3-14(9-18)21-17/h3,6,11-13H,4-5,7-8,10H2,1-2H3
InChIKeySDYLAMWZHCSCLJ-UHFFFAOYSA-N
XLogP1.07
TPSA90.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[[1-(4-cyanopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide with MolForge

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Related Compounds

N-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881174
N-[[1-(3-chloro-2-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881063
N-[[1-(3-chloro-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881066
N,1-dimethyl-N-[[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]imidazole-4-carboxamide
CID 172881133
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-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)methyl]imidazole-4-carboxamide
CID 172881779
2-[4-(methylaminomethyl)piperidin-1-yl]pyrimidine-4-carbonitrile
CID 107552490
N,1-dimethyl-N-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide
CID 172881912
N,1-dimethyl-N-[[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide
CID 172901096
N-[[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881969
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

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-cyanopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide?
The IUPAC name of N-[[1-(4-cyanopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide (CID 172881312) is N-[[1-(4-cyanopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide.
What is the SMILES notation for N-[[1-(4-cyanopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide?
The canonical SMILES for N-[[1-(4-cyanopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide is CN(CC1CCN(c2nccc(C#N)n2)CC1)C(=O)c1cn(C)cn1.
What is the InChIKey of N-[[1-(4-cyanopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide?
The InChIKey is SDYLAMWZHCSCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-22-11-15(20-12-22)16(25)23(2)10-13-4-7-24(8-5-13)17-19-6-3-14(9-18)21-17/h3,6,11-13H,4-5,7-8,10H2,1-2H3.
What are the key properties of N-[[1-(4-cyanopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide?
N-[[1-(4-cyanopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-cyanopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide is sourced from PubChem (CID 172881312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).