6-fluoro-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide

C21H20FN5O2 — CID 110238135

IUPAC6-fluoro-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
SMILESCc1cnc(C(=O)N2CCCC(c3nc4ccc(F)cc4cc3C(N)=O)C2)cn1
InChIInChI=1S/C21H20FN5O2/c1-12-9-25-18(10-24-12)21(29)27-6-2-3-13(11-27)19-16(20(23)28)8-14-7-15(22)4-5-17(14)26-19/h4-5,7-10,13H,2-3,6,11H2,1H3,(H2,23,28)
InChIKeyLVPRHCOZMVPWPY-UHFFFAOYSA-N
MW393.42 g/mol
LogP2.59
Rot. Bonds3

About 6-fluoro-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide

6-fluoro-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide (PubChem CID 110238135) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 6-fluoro-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
PubChem CID110238135
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name6-fluoro-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
SMILESCc1cnc(C(=O)N2CCCC(c3nc4ccc(F)cc4cc3C(N)=O)C2)cn1
InChIInChI=1S/C21H20FN5O2/c1-12-9-25-18(10-24-12)21(29)27-6-2-3-13(11-27)19-16(20(23)28)8-14-7-15(22)4-5-17(14)26-19/h4-5,7-10,13H,2-3,6,11H2,1H3,(H2,23,28)
InChIKeyLVPRHCOZMVPWPY-UHFFFAOYSA-N
XLogP2.59
TPSA102.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-fluoro-2-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
CID 110238177
6-fluoro-2-[1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
CID 110238278
6-fluoro-2-[1-(5-methoxythiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
CID 110238252
2-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide
CID 110238250
2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide
CID 110238096
6-fluoro-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238182
6-fluoro-2-[1-[3-(2-methylimidazol-1-yl)butanoyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238201
6-fluoro-2-[1-[2-methyl-2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238288
[(3S)-3-[4-(4-fluoroanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124971967
2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
CID 110238205
2-[(3S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-3-yl]quinoline-3-carboxamide
CID 95856590
(6-fluoroquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone
CID 110464455

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide?
The IUPAC name of 6-fluoro-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide (CID 110238135) is 6-fluoro-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide.
What is the SMILES notation for 6-fluoro-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide?
The canonical SMILES for 6-fluoro-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide is Cc1cnc(C(=O)N2CCCC(c3nc4ccc(F)cc4cc3C(N)=O)C2)cn1.
What is the InChIKey of 6-fluoro-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide?
The InChIKey is LVPRHCOZMVPWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c1-12-9-25-18(10-24-12)21(29)27-6-2-3-13(11-27)19-16(20(23)28)8-14-7-15(22)4-5-17(14)26-19/h4-5,7-10,13H,2-3,6,11H2,1H3,(H2,23,28).
What are the key properties of 6-fluoro-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide?
6-fluoro-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide is sourced from PubChem (CID 110238135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).