N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazine-2-carboxamide

C14H12FN3O2 — CID 110750976

IUPACN-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazine-2-carboxamide
SMILESO=C(NC1CCOc2ccc(F)cc21)c1cnccn1
InChIInChI=1S/C14H12FN3O2/c15-9-1-2-13-10(7-9)11(3-6-20-13)18-14(19)12-8-16-4-5-17-12/h1-2,4-5,7-8,11H,3,6H2,(H,18,19)
InChIKeySDMJHFZJDADYGM-UHFFFAOYSA-N
MW273.27 g/mol
LogP1.87
Rot. Bonds2

About N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazine-2-carboxamide

N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazine-2-carboxamide (PubChem CID 110750976) has the molecular formula C14H12FN3O2 and a molecular weight of 273.27 g/mol. Its IUPAC name is N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazine-2-carboxamide
PubChem CID110750976
Molecular FormulaC14H12FN3O2
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC NameN-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazine-2-carboxamide
SMILESO=C(NC1CCOc2ccc(F)cc21)c1cnccn1
InChIInChI=1S/C14H12FN3O2/c15-9-1-2-13-10(7-9)11(3-6-20-13)18-14(19)12-8-16-4-5-17-12/h1-2,4-5,7-8,11H,3,6H2,(H,18,19)
InChIKeySDMJHFZJDADYGM-UHFFFAOYSA-N
XLogP1.87
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrimidine-5-carboxamide
CID 126816609
N-[(5R)-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-2H-triazole-4-carboxamide
CID 94197661
4-(dimethylamino)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 110750983
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropanamide
CID 110751259
1-[2-(dimethylamino)ethyl]-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazole-3-carboxamide
CID 138004756
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)cyclohexanecarboxamide
CID 110751256
1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-isoquinolin-5-ylurea
CID 53250374
1-[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]-3-isoquinolin-5-ylurea
CID 25264620
N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 155945827
3-cyclopropyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 155957381
(2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119322941
1-cyclopropyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrole-3-carboxamide
CID 119041646

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazine-2-carboxamide (CID 110750976) is N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazine-2-carboxamide is O=C(NC1CCOc2ccc(F)cc21)c1cnccn1.
What is the InChIKey of N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazine-2-carboxamide?
The InChIKey is SDMJHFZJDADYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2/c15-9-1-2-13-10(7-9)11(3-6-20-13)18-14(19)12-8-16-4-5-17-12/h1-2,4-5,7-8,11H,3,6H2,(H,18,19).
What are the key properties of N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazine-2-carboxamide?
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazine-2-carboxamide has a molecular weight of 273.27 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 110750976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).