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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).