6-[(1-amino-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-4-ylamino)pyridine-3-carboxamide

C19H19FN6O2 — CID 67775101

IUPAC6-[(1-amino-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-4-ylamino)pyridine-3-carboxamide
SMILESCCC(Nc1nc(Nc2ccnc3ccccc23)c(C(N)=O)cc1F)C(N)=O
InChIInChI=1S/C19H19FN6O2/c1-2-13(17(22)28)24-19-12(20)9-11(16(21)27)18(26-19)25-15-7-8-23-14-6-4-3-5-10(14)15/h3-9,13H,2H2,1H3,(H2,21,27)(H2,22,28)(H2,23,24,25,26)
InChIKeyIMVRPHJXDHPOQH-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.29
Rot. Bonds7

About 6-[(1-amino-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-4-ylamino)pyridine-3-carboxamide

6-[(1-amino-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-4-ylamino)pyridine-3-carboxamide (PubChem CID 67775101) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is 6-[(1-amino-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-4-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(1-amino-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-4-ylamino)pyridine-3-carboxamide
PubChem CID67775101
Molecular FormulaC19H19FN6O2
Molecular Weight382.40 g/mol
Exact Mass382.16
IUPAC Name6-[(1-amino-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-4-ylamino)pyridine-3-carboxamide
SMILESCCC(Nc1nc(Nc2ccnc3ccccc23)c(C(N)=O)cc1F)C(N)=O
InChIInChI=1S/C19H19FN6O2/c1-2-13(17(22)28)24-19-12(20)9-11(16(21)27)18(26-19)25-15-7-8-23-14-6-4-3-5-10(14)15/h3-9,13H,2H2,1H3,(H2,21,27)(H2,22,28)(H2,23,24,25,26)
InChIKeyIMVRPHJXDHPOQH-UHFFFAOYSA-N
XLogP2.29
TPSA136.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-amino-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-4-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-[(1-amino-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-4-ylamino)pyridine-3-carboxamide (CID 67775101) is 6-[(1-amino-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-4-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(1-amino-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-4-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-[(1-amino-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-4-ylamino)pyridine-3-carboxamide is CCC(Nc1nc(Nc2ccnc3ccccc23)c(C(N)=O)cc1F)C(N)=O.
What is the InChIKey of 6-[(1-amino-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-4-ylamino)pyridine-3-carboxamide?
The InChIKey is IMVRPHJXDHPOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O2/c1-2-13(17(22)28)24-19-12(20)9-11(16(21)27)18(26-19)25-15-7-8-23-14-6-4-3-5-10(14)15/h3-9,13H,2H2,1H3,(H2,21,27)(H2,22,28)(H2,23,24,25,26).
What are the key properties of 6-[(1-amino-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-4-ylamino)pyridine-3-carboxamide?
6-[(1-amino-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-4-ylamino)pyridine-3-carboxamide has a molecular weight of 382.40 g/mol, XLogP of 2.29, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-amino-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-4-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 67775101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).