N-isoquinolin-5-ylimidazole-1-carboxamide

C13H10N4O — CID 81257687

IUPACN-isoquinolin-5-ylimidazole-1-carboxamide
SMILESO=C(Nc1cccc2cnccc12)n1ccnc1
InChIInChI=1S/C13H10N4O/c18-13(17-7-6-15-9-17)16-12-3-1-2-10-8-14-5-4-11(10)12/h1-9H,(H,16,18)
InChIKeyYPZOKUYBSDVZBN-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.51
Rot. Bonds1

About N-isoquinolin-5-ylimidazole-1-carboxamide

N-isoquinolin-5-ylimidazole-1-carboxamide (PubChem CID 81257687) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is N-isoquinolin-5-ylimidazole-1-carboxamide.

Molecular Properties

Compound NameN-isoquinolin-5-ylimidazole-1-carboxamide
PubChem CID81257687
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC NameN-isoquinolin-5-ylimidazole-1-carboxamide
SMILESO=C(Nc1cccc2cnccc12)n1ccnc1
InChIInChI=1S/C13H10N4O/c18-13(17-7-6-15-9-17)16-12-3-1-2-10-8-14-5-4-11(10)12/h1-9H,(H,16,18)
InChIKeyYPZOKUYBSDVZBN-UHFFFAOYSA-N
XLogP2.51
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-difluorophenyl)imidazole-1-carboxamide
CID 81269096
N-(2-bromo-3-chlorophenyl)imidazole-1-carboxamide
CID 103481644
3-(isoquinolin-5-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61205607
N-isoquinolin-5-yl-3-sulfanylpropanamide
CID 107023450
N-(2-imidazol-1-ylphenyl)imidazole-1-carboxamide
CID 81257478
2-amino-N-isoquinolin-5-yl-2-methylpropanamide
CID 61264999
isoquinolin-5-ylthiourea
CID 1480924
3-(isoquinolin-5-ylcarbamoylamino)propanoic acid
CID 61205972
N-isoquinolin-5-yl-3,3-dimethylbutanamide
CID 29371824
N-[2-(methanesulfonamido)phenyl]imidazole-1-carboxamide
CID 81257028
N-isoquinolin-5-yl-2-morpholin-4-ylacetamide
CID 110483410
N-[3-chloro-2-(dimethylamino)phenyl]imidazole-1-carboxamide
CID 81257815

Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-5-ylimidazole-1-carboxamide?
The IUPAC name of N-isoquinolin-5-ylimidazole-1-carboxamide (CID 81257687) is N-isoquinolin-5-ylimidazole-1-carboxamide.
What is the SMILES notation for N-isoquinolin-5-ylimidazole-1-carboxamide?
The canonical SMILES for N-isoquinolin-5-ylimidazole-1-carboxamide is O=C(Nc1cccc2cnccc12)n1ccnc1.
What is the InChIKey of N-isoquinolin-5-ylimidazole-1-carboxamide?
The InChIKey is YPZOKUYBSDVZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c18-13(17-7-6-15-9-17)16-12-3-1-2-10-8-14-5-4-11(10)12/h1-9H,(H,16,18).
What are the key properties of N-isoquinolin-5-ylimidazole-1-carboxamide?
N-isoquinolin-5-ylimidazole-1-carboxamide has a molecular weight of 238.25 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-5-ylimidazole-1-carboxamide is sourced from PubChem (CID 81257687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).