N-isoquinolin-5-yl-6-oxo-1-propan-2-ylpyridine-3-carboxamide

C18H17N3O2 — CID 166391502

IUPACN-isoquinolin-5-yl-6-oxo-1-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)n1cc(C(=O)Nc2cccc3cnccc23)ccc1=O
InChIInChI=1S/C18H17N3O2/c1-12(2)21-11-14(6-7-17(21)22)18(23)20-16-5-3-4-13-10-19-9-8-15(13)16/h3-12H,1-2H3,(H,20,23)
InChIKeyMZSPQWFLQGIIJF-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.23
Rot. Bonds3

About N-isoquinolin-5-yl-6-oxo-1-propan-2-ylpyridine-3-carboxamide

N-isoquinolin-5-yl-6-oxo-1-propan-2-ylpyridine-3-carboxamide (PubChem CID 166391502) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-isoquinolin-5-yl-6-oxo-1-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-isoquinolin-5-yl-6-oxo-1-propan-2-ylpyridine-3-carboxamide
PubChem CID166391502
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-isoquinolin-5-yl-6-oxo-1-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)n1cc(C(=O)Nc2cccc3cnccc23)ccc1=O
InChIInChI=1S/C18H17N3O2/c1-12(2)21-11-14(6-7-17(21)22)18(23)20-16-5-3-4-13-10-19-9-8-15(13)16/h3-12H,1-2H3,(H,20,23)
InChIKeyMZSPQWFLQGIIJF-UHFFFAOYSA-N
XLogP3.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-isoquinolin-5-yl-3,5-dimethoxybenzamide
CID 8763148
4-amino-3-fluoro-N-isoquinolin-5-ylbenzamide
CID 62677576
N-isoquinolin-5-yl-2-(methylamino)pyridine-4-carboxamide
CID 62180377
N-isoquinolin-5-yl-2-methylbenzamide
CID 110483002
2-(isoquinolin-5-ylcarbamoylamino)-3-methylbutanoic acid
CID 61204115
N-isoquinolin-5-yl-2-(propan-2-ylamino)acetamide
CID 54924139
N-isoquinolin-5-yl-4-piperidin-1-ylsulfonylbenzamide
CID 8763187
N-[2-(isoquinolin-5-ylamino)-2-oxoethyl]-4-methylbenzamide
CID 29372226
2-(isoquinolin-5-ylamino)propanoic acid
CID 66172493
N-isoquinolin-5-yl-4-methoxy-3-nitrobenzamide
CID 8763192
2-amino-N-isoquinolin-5-yl-2-methylpropanamide
CID 61264999
3-amino-3-hydroxyimino-N-isoquinolin-5-yl-2-methylpropanamide
CID 76925512

Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-5-yl-6-oxo-1-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-isoquinolin-5-yl-6-oxo-1-propan-2-ylpyridine-3-carboxamide (CID 166391502) is N-isoquinolin-5-yl-6-oxo-1-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-isoquinolin-5-yl-6-oxo-1-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-isoquinolin-5-yl-6-oxo-1-propan-2-ylpyridine-3-carboxamide is CC(C)n1cc(C(=O)Nc2cccc3cnccc23)ccc1=O.
What is the InChIKey of N-isoquinolin-5-yl-6-oxo-1-propan-2-ylpyridine-3-carboxamide?
The InChIKey is MZSPQWFLQGIIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12(2)21-11-14(6-7-17(21)22)18(23)20-16-5-3-4-13-10-19-9-8-15(13)16/h3-12H,1-2H3,(H,20,23).
What are the key properties of N-isoquinolin-5-yl-6-oxo-1-propan-2-ylpyridine-3-carboxamide?
N-isoquinolin-5-yl-6-oxo-1-propan-2-ylpyridine-3-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-5-yl-6-oxo-1-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 166391502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).