N-(azepan-4-yl)-N,1-dimethylimidazole-4-carboxamide

C12H20N4O — CID 114022842

IUPACN-(azepan-4-yl)-N,1-dimethylimidazole-4-carboxamide
SMILESCN(C(=O)c1cn(C)cn1)C1CCCNCC1
InChIInChI=1S/C12H20N4O/c1-15-8-11(14-9-15)12(17)16(2)10-4-3-6-13-7-5-10/h8-10,13H,3-7H2,1-2H3
InChIKeyHFKAHAHOTFAXQG-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.63
Rot. Bonds2

About N-(azepan-4-yl)-N,1-dimethylimidazole-4-carboxamide

N-(azepan-4-yl)-N,1-dimethylimidazole-4-carboxamide (PubChem CID 114022842) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(azepan-4-yl)-N,1-dimethylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-N,1-dimethylimidazole-4-carboxamide
PubChem CID114022842
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(azepan-4-yl)-N,1-dimethylimidazole-4-carboxamide
SMILESCN(C(=O)c1cn(C)cn1)C1CCCNCC1
InChIInChI=1S/C12H20N4O/c1-15-8-11(14-9-15)12(17)16(2)10-4-3-6-13-7-5-10/h8-10,13H,3-7H2,1-2H3
InChIKeyHFKAHAHOTFAXQG-UHFFFAOYSA-N
XLogP0.63
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide
CID 107971834
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,1-dimethylimidazole-4-carboxamide
CID 107972294
N-(azepan-4-yl)-N-methyl-2H-triazole-4-carboxamide
CID 107172492
N-(azepan-4-yl)-5-fluoro-N-methylpyridine-2-carboxamide
CID 107172496
N,1-dimethyl-N-piperidin-4-ylpyrazole-3-carboxamide
CID 103120629
N,1-dimethyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-carboxamide
CID 107973687
N-(2-aminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide
CID 107970866
N-(azepan-4-yl)-N,1-dimethylpyrrole-2-carboxamide
CID 104974495
N,5-dimethyl-N-piperidin-4-ylpyrazine-2-carboxamide
CID 43602095
N-methyl-N-piperidin-4-ylpyrazine-2-carboxamide
CID 43602062
N-cyclopentyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696941
N-cyclooctyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119763852

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-N,1-dimethylimidazole-4-carboxamide?
The IUPAC name of N-(azepan-4-yl)-N,1-dimethylimidazole-4-carboxamide (CID 114022842) is N-(azepan-4-yl)-N,1-dimethylimidazole-4-carboxamide.
What is the SMILES notation for N-(azepan-4-yl)-N,1-dimethylimidazole-4-carboxamide?
The canonical SMILES for N-(azepan-4-yl)-N,1-dimethylimidazole-4-carboxamide is CN(C(=O)c1cn(C)cn1)C1CCCNCC1.
What is the InChIKey of N-(azepan-4-yl)-N,1-dimethylimidazole-4-carboxamide?
The InChIKey is HFKAHAHOTFAXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-15-8-11(14-9-15)12(17)16(2)10-4-3-6-13-7-5-10/h8-10,13H,3-7H2,1-2H3.
What are the key properties of N-(azepan-4-yl)-N,1-dimethylimidazole-4-carboxamide?
N-(azepan-4-yl)-N,1-dimethylimidazole-4-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-N,1-dimethylimidazole-4-carboxamide is sourced from PubChem (CID 114022842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).