N-(6-fluoro-2-pyridinyl)isoquinoline-1-carboxamide

C15H10FN3O — CID 104820920

IUPACN-(6-fluoro-2-pyridinyl)isoquinoline-1-carboxamide
SMILESO=C(Nc1cccc(F)n1)c1nccc2ccccc12
InChIInChI=1S/C15H10FN3O/c16-12-6-3-7-13(18-12)19-15(20)14-11-5-2-1-4-10(11)8-9-17-14/h1-9H,(H,18,19,20)
InChIKeyCXQPHRRZMCOOAV-UHFFFAOYSA-N
MW267.26 g/mol
LogP3.02
Rot. Bonds2

About N-(6-fluoro-2-pyridinyl)isoquinoline-1-carboxamide

N-(6-fluoro-2-pyridinyl)isoquinoline-1-carboxamide (PubChem CID 104820920) has the molecular formula C15H10FN3O and a molecular weight of 267.26 g/mol. Its IUPAC name is N-(6-fluoro-2-pyridinyl)isoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-2-pyridinyl)isoquinoline-1-carboxamide
PubChem CID104820920
Molecular FormulaC15H10FN3O
Molecular Weight267.26 g/mol
Exact Mass267.08
IUPAC NameN-(6-fluoro-2-pyridinyl)isoquinoline-1-carboxamide
SMILESO=C(Nc1cccc(F)n1)c1nccc2ccccc12
InChIInChI=1S/C15H10FN3O/c16-12-6-3-7-13(18-12)19-15(20)14-11-5-2-1-4-10(11)8-9-17-14/h1-9H,(H,18,19,20)
InChIKeyCXQPHRRZMCOOAV-UHFFFAOYSA-N
XLogP3.02
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-difluorophenyl)isoquinoline-1-carboxamide;hydrochloride
CID 162171577
N-cyanoisoquinoline-1-carboxamide
CID 79195408
N-tert-butylisoquinoline-1-carboxamide
CID 62046176
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-1-carboxamide
CID 169227716
N-(6-fluoro-2-pyridinyl)-2-pyridin-2-ylacetamide
CID 104820505
N-[2-(4-fluorophenyl)ethyl]isoquinoline-1-carboxamide
CID 52786806
N-(6-fluoro-2-pyridinyl)-3-phenylpropanamide
CID 104820903
3-fluoro-N-naphthalen-1-ylpyridine-2-carboxamide
CID 110474866
N-(1H-1,2,4-triazol-5-yl)isoquinoline-1-carboxamide
CID 62318170
N-(1-bromo-2-methylbutan-2-yl)isoquinoline-1-carboxamide
CID 113275584
N-(2-chloropropyl)isoquinoline-1-carboxamide
CID 114296363
N-(6-fluoro-2-pyridinyl)-2-methylpropanamide
CID 104820526

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2-pyridinyl)isoquinoline-1-carboxamide?
The IUPAC name of N-(6-fluoro-2-pyridinyl)isoquinoline-1-carboxamide (CID 104820920) is N-(6-fluoro-2-pyridinyl)isoquinoline-1-carboxamide.
What is the SMILES notation for N-(6-fluoro-2-pyridinyl)isoquinoline-1-carboxamide?
The canonical SMILES for N-(6-fluoro-2-pyridinyl)isoquinoline-1-carboxamide is O=C(Nc1cccc(F)n1)c1nccc2ccccc12.
What is the InChIKey of N-(6-fluoro-2-pyridinyl)isoquinoline-1-carboxamide?
The InChIKey is CXQPHRRZMCOOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O/c16-12-6-3-7-13(18-12)19-15(20)14-11-5-2-1-4-10(11)8-9-17-14/h1-9H,(H,18,19,20).
What are the key properties of N-(6-fluoro-2-pyridinyl)isoquinoline-1-carboxamide?
N-(6-fluoro-2-pyridinyl)isoquinoline-1-carboxamide has a molecular weight of 267.26 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2-pyridinyl)isoquinoline-1-carboxamide is sourced from PubChem (CID 104820920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).