N-[3-(3,4-dimethyloxolan-3-yl)-4-fluorophenyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide

C19H21F2N3O3 — CID 123510810

IUPACN-[3-(3,4-dimethyloxolan-3-yl)-4-fluorophenyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide
SMILESCC1COCC1(C)c1cc(NC(=O)c2cnc(OCCF)cn2)ccc1F
InChIInChI=1S/C19H21F2N3O3/c1-12-10-26-11-19(12,2)14-7-13(3-4-15(14)21)24-18(25)16-8-23-17(9-22-16)27-6-5-20/h3-4,7-9,12H,5-6,10-11H2,1-2H3,(H,24,25)
InChIKeyAAKLKIIFFIMQGF-UHFFFAOYSA-N
MW377.39 g/mol
LogP3.14
Rot. Bonds6

About N-[3-(3,4-dimethyloxolan-3-yl)-4-fluorophenyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide

N-[3-(3,4-dimethyloxolan-3-yl)-4-fluorophenyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide (PubChem CID 123510810) has the molecular formula C19H21F2N3O3 and a molecular weight of 377.39 g/mol. Its IUPAC name is N-[3-(3,4-dimethyloxolan-3-yl)-4-fluorophenyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethyloxolan-3-yl)-4-fluorophenyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide
PubChem CID123510810
Molecular FormulaC19H21F2N3O3
Molecular Weight377.39 g/mol
Exact Mass377.16
IUPAC NameN-[3-(3,4-dimethyloxolan-3-yl)-4-fluorophenyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide
SMILESCC1COCC1(C)c1cc(NC(=O)c2cnc(OCCF)cn2)ccc1F
InChIInChI=1S/C19H21F2N3O3/c1-12-10-26-11-19(12,2)14-7-13(3-4-15(14)21)24-18(25)16-8-23-17(9-22-16)27-6-5-20/h3-4,7-9,12H,5-6,10-11H2,1-2H3,(H,24,25)
InChIKeyAAKLKIIFFIMQGF-UHFFFAOYSA-N
XLogP3.14
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl)-4-fluorophenyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide
CID 123805645
N-[3-[(4S,6R)-2-amino-6-(methoxymethyl)-4,6-dimethyl-5H-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide
CID 126488639
N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 122195837
N-[3-(2-amino-4a-methyl-5,7-dihydro-4H-furo[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-5-ethoxypyrazine-2-carboxamide
CID 123520039
N-[3-[(4S,4aS,7S,8aR)-2-amino-4-(fluoromethyl)-7-methyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-e][1,3]oxazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyrazine-2-carboxamide
CID 160696094
N-[3-[(8S)-6-amino-8-(fluoromethyl)-2,5-dioxa-7-azaspiro[3.5]non-6-en-8-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyrazine-2-carboxamide
CID 118399674
N-[3-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-4-fluorophenyl]-5-ethoxypyrazine-2-carboxamide
CID 68586164
N-[3-[(2S)-6-amino-2,5,5-trimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 140946078
N-(5-amino-6,6-dimethyl-1,1-dioxospiro[2H-1,4-thiazine-3,8'-6,7-dihydro-5H-naphthalene]-2'-yl)-5-(2-fluoroethoxy)pyrazine-2-carboxamide
CID 123744808
N-[3-[(1S,3R)-5-amino-3,6,6-trimethyl-1-methylimino-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 135189905
N-[3-[2-amino-4-(fluoromethyl)-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-e][1,3]oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 166685719
N-[3-(2-amino-4a-methyl-5,7-dihydro-4H-furo[3,4-d][1,3]thiazin-7a-yl)-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
CID 123895658

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethyloxolan-3-yl)-4-fluorophenyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide?
The IUPAC name of N-[3-(3,4-dimethyloxolan-3-yl)-4-fluorophenyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide (CID 123510810) is N-[3-(3,4-dimethyloxolan-3-yl)-4-fluorophenyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(3,4-dimethyloxolan-3-yl)-4-fluorophenyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide?
The canonical SMILES for N-[3-(3,4-dimethyloxolan-3-yl)-4-fluorophenyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide is CC1COCC1(C)c1cc(NC(=O)c2cnc(OCCF)cn2)ccc1F.
What is the InChIKey of N-[3-(3,4-dimethyloxolan-3-yl)-4-fluorophenyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide?
The InChIKey is AAKLKIIFFIMQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O3/c1-12-10-26-11-19(12,2)14-7-13(3-4-15(14)21)24-18(25)16-8-23-17(9-22-16)27-6-5-20/h3-4,7-9,12H,5-6,10-11H2,1-2H3,(H,24,25).
What are the key properties of N-[3-(3,4-dimethyloxolan-3-yl)-4-fluorophenyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide?
N-[3-(3,4-dimethyloxolan-3-yl)-4-fluorophenyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide has a molecular weight of 377.39 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethyloxolan-3-yl)-4-fluorophenyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 123510810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).