3-aminopyrazine-2-carboxamide;1-[(2R)-2-cyclopropyl-6-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone

C20H24FN5O2 — CID 144701690

IUPAC3-aminopyrazine-2-carboxamide;1-[(2R)-2-cyclopropyl-6-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(F)cc2CC(C)[C@@H]1C1CC1.NC(=O)c1nccnc1N
InChIInChI=1S/C15H18FNO.C5H6N4O/c1-9-7-12-8-13(16)5-6-14(12)17(10(2)18)15(9)11-3-4-11;6-4-3(5(7)10)8-1-2-9-4/h5-6,8-9,11,15H,3-4,7H2,1-2H3;1-2H,(H2,6,9)(H2,7,10)/t9?,15-;/m1./s1
InChIKeyCZRYEUYOEOXREX-FDDQUTDISA-N
MW385.44 g/mol
LogP2.31
Rot. Bonds2

About 3-aminopyrazine-2-carboxamide;1-[(2R)-2-cyclopropyl-6-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone

3-aminopyrazine-2-carboxamide;1-[(2R)-2-cyclopropyl-6-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 144701690) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is 3-aminopyrazine-2-carboxamide;1-[(2R)-2-cyclopropyl-6-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name3-aminopyrazine-2-carboxamide;1-[(2R)-2-cyclopropyl-6-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID144701690
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC Name3-aminopyrazine-2-carboxamide;1-[(2R)-2-cyclopropyl-6-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(F)cc2CC(C)[C@@H]1C1CC1.NC(=O)c1nccnc1N
InChIInChI=1S/C15H18FNO.C5H6N4O/c1-9-7-12-8-13(16)5-6-14(12)17(10(2)18)15(9)11-3-4-11;6-4-3(5(7)10)8-1-2-9-4/h5-6,8-9,11,15H,3-4,7H2,1-2H3;1-2H,(H2,6,9)(H2,7,10)/t9?,15-;/m1./s1
InChIKeyCZRYEUYOEOXREX-FDDQUTDISA-N
XLogP2.31
TPSA115.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-aminopyrazine-2-carboxamide;1-[(2R)-2-cyclopropyl-6-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 3-aminopyrazine-2-carboxamide;1-[(2R)-2-cyclopropyl-6-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 144701690) is 3-aminopyrazine-2-carboxamide;1-[(2R)-2-cyclopropyl-6-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 3-aminopyrazine-2-carboxamide;1-[(2R)-2-cyclopropyl-6-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 3-aminopyrazine-2-carboxamide;1-[(2R)-2-cyclopropyl-6-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1c2ccc(F)cc2CC(C)[C@@H]1C1CC1.NC(=O)c1nccnc1N.
What is the InChIKey of 3-aminopyrazine-2-carboxamide;1-[(2R)-2-cyclopropyl-6-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is CZRYEUYOEOXREX-FDDQUTDISA-N. The full InChI is InChI=1S/C15H18FNO.C5H6N4O/c1-9-7-12-8-13(16)5-6-14(12)17(10(2)18)15(9)11-3-4-11;6-4-3(5(7)10)8-1-2-9-4/h5-6,8-9,11,15H,3-4,7H2,1-2H3;1-2H,(H2,6,9)(H2,7,10)/t9?,15-;/m1./s1.
What are the key properties of 3-aminopyrazine-2-carboxamide;1-[(2R)-2-cyclopropyl-6-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
3-aminopyrazine-2-carboxamide;1-[(2R)-2-cyclopropyl-6-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 385.44 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopyrazine-2-carboxamide;1-[(2R)-2-cyclopropyl-6-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 144701690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).