N-[3-[4-[(2-isoquinolin-5-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide

C24H22N6O2 — CID 10274048

IUPACN-[3-[4-[(2-isoquinolin-5-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide
SMILESO=C(Cc1cccc2cnccc12)Nc1cn(C2CC(NC(=O)c3ccccn3)C2)cn1
InChIInChI=1S/C24H22N6O2/c31-23(10-16-4-3-5-17-13-25-9-7-20(16)17)29-22-14-30(15-27-22)19-11-18(12-19)28-24(32)21-6-1-2-8-26-21/h1-9,13-15,18-19H,10-12H2,(H,28,32)(H,29,31)
InChIKeyGOMHETZVICTQAJ-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.14
Rot. Bonds6

About N-[3-[4-[(2-isoquinolin-5-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide

N-[3-[4-[(2-isoquinolin-5-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide (PubChem CID 10274048) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[3-[4-[(2-isoquinolin-5-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-[(2-isoquinolin-5-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide
PubChem CID10274048
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC NameN-[3-[4-[(2-isoquinolin-5-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide
SMILESO=C(Cc1cccc2cnccc12)Nc1cn(C2CC(NC(=O)c3ccccn3)C2)cn1
InChIInChI=1S/C24H22N6O2/c31-23(10-16-4-3-5-17-13-25-9-7-20(16)17)29-22-14-30(15-27-22)19-11-18(12-19)28-24(32)21-6-1-2-8-26-21/h1-9,13-15,18-19H,10-12H2,(H,28,32)(H,29,31)
InChIKeyGOMHETZVICTQAJ-UHFFFAOYSA-N
XLogP3.14
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[4-[(2-isoquinolin-5-ylacetyl)amino]imidazol-1-yl]cyclobutyl]benzamide
CID 10180756
N-[1-[6-(pyridine-2-carbonyl)-3-bicyclo[3.1.0]hexanyl]imidazol-4-yl]-2-quinolin-6-ylacetamide
CID 22025996
2-naphthalen-1-yl-N-pyridin-2-ylacetamide;hydrochloride
CID 163331171
N-(isoquinolin-5-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 104694147
N-(isoquinolin-5-ylmethyl)cyclopentanamine
CID 55119141
N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
N-(isoquinolin-5-ylmethyl)cyclopropanamine
CID 58170897
2-isoquinolin-5-yl-N-(2-pyridin-3-ylethyl)acetamide
CID 11335291
N-(isoquinolin-5-ylmethyl)cyclooctanamine
CID 62822995
N'-(2-naphthalen-1-ylacetyl)pyrazine-2-carbohydrazide
CID 24638040
ethane;N-[(3R,5R)-5-phenylpiperidin-3-yl]pyridine-2-carboxamide
CID 176969995
2-isoquinolin-5-ylacetamide
CID 68785768

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(2-isoquinolin-5-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[4-[(2-isoquinolin-5-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide (CID 10274048) is N-[3-[4-[(2-isoquinolin-5-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[4-[(2-isoquinolin-5-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[4-[(2-isoquinolin-5-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide is O=C(Cc1cccc2cnccc12)Nc1cn(C2CC(NC(=O)c3ccccn3)C2)cn1.
What is the InChIKey of N-[3-[4-[(2-isoquinolin-5-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide?
The InChIKey is GOMHETZVICTQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c31-23(10-16-4-3-5-17-13-25-9-7-20(16)17)29-22-14-30(15-27-22)19-11-18(12-19)28-24(32)21-6-1-2-8-26-21/h1-9,13-15,18-19H,10-12H2,(H,28,32)(H,29,31).
What are the key properties of N-[3-[4-[(2-isoquinolin-5-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide?
N-[3-[4-[(2-isoquinolin-5-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(2-isoquinolin-5-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide is sourced from PubChem (CID 10274048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).