6-(3-aminobutan-2-ylamino)-5-fluoro-2-[(7-methoxyquinolin-3-yl)amino]pyridine-3-carboxamide

C20H23FN6O2 — CID 135305703

IUPAC6-(3-aminobutan-2-ylamino)-5-fluoro-2-[(7-methoxyquinolin-3-yl)amino]pyridine-3-carboxamide
SMILESCOc1ccc2cc(Nc3nc(NC(C)C(C)N)c(F)cc3C(N)=O)cnc2c1
InChIInChI=1S/C20H23FN6O2/c1-10(22)11(2)25-20-16(21)8-15(18(23)28)19(27-20)26-13-6-12-4-5-14(29-3)7-17(12)24-9-13/h4-11H,22H2,1-3H3,(H2,23,28)(H2,25,26,27)
InChIKeyCHVNPAFZIQPPPW-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.77
Rot. Bonds7

About 6-(3-aminobutan-2-ylamino)-5-fluoro-2-[(7-methoxyquinolin-3-yl)amino]pyridine-3-carboxamide

6-(3-aminobutan-2-ylamino)-5-fluoro-2-[(7-methoxyquinolin-3-yl)amino]pyridine-3-carboxamide (PubChem CID 135305703) has the molecular formula C20H23FN6O2 and a molecular weight of 398.44 g/mol. Its IUPAC name is 6-(3-aminobutan-2-ylamino)-5-fluoro-2-[(7-methoxyquinolin-3-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-aminobutan-2-ylamino)-5-fluoro-2-[(7-methoxyquinolin-3-yl)amino]pyridine-3-carboxamide
PubChem CID135305703
Molecular FormulaC20H23FN6O2
Molecular Weight398.44 g/mol
Exact Mass398.19
IUPAC Name6-(3-aminobutan-2-ylamino)-5-fluoro-2-[(7-methoxyquinolin-3-yl)amino]pyridine-3-carboxamide
SMILESCOc1ccc2cc(Nc3nc(NC(C)C(C)N)c(F)cc3C(N)=O)cnc2c1
InChIInChI=1S/C20H23FN6O2/c1-10(22)11(2)25-20-16(21)8-15(18(23)28)19(27-20)26-13-6-12-4-5-14(29-3)7-17(12)24-9-13/h4-11H,22H2,1-3H3,(H2,23,28)(H2,25,26,27)
InChIKeyCHVNPAFZIQPPPW-UHFFFAOYSA-N
XLogP2.77
TPSA128.18 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminobutan-2-ylamino)-5-fluoro-2-[(7-methoxyquinolin-3-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 6-(3-aminobutan-2-ylamino)-5-fluoro-2-[(7-methoxyquinolin-3-yl)amino]pyridine-3-carboxamide (CID 135305703) is 6-(3-aminobutan-2-ylamino)-5-fluoro-2-[(7-methoxyquinolin-3-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-aminobutan-2-ylamino)-5-fluoro-2-[(7-methoxyquinolin-3-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-aminobutan-2-ylamino)-5-fluoro-2-[(7-methoxyquinolin-3-yl)amino]pyridine-3-carboxamide is COc1ccc2cc(Nc3nc(NC(C)C(C)N)c(F)cc3C(N)=O)cnc2c1.
What is the InChIKey of 6-(3-aminobutan-2-ylamino)-5-fluoro-2-[(7-methoxyquinolin-3-yl)amino]pyridine-3-carboxamide?
The InChIKey is CHVNPAFZIQPPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O2/c1-10(22)11(2)25-20-16(21)8-15(18(23)28)19(27-20)26-13-6-12-4-5-14(29-3)7-17(12)24-9-13/h4-11H,22H2,1-3H3,(H2,23,28)(H2,25,26,27).
What are the key properties of 6-(3-aminobutan-2-ylamino)-5-fluoro-2-[(7-methoxyquinolin-3-yl)amino]pyridine-3-carboxamide?
6-(3-aminobutan-2-ylamino)-5-fluoro-2-[(7-methoxyquinolin-3-yl)amino]pyridine-3-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 2.77, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminobutan-2-ylamino)-5-fluoro-2-[(7-methoxyquinolin-3-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 135305703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).