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

C20H21FN6O2 — CID 67775657

IUPAC6-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide
SMILESCC(C)C(Nc1nc(Nc2ccc3ncccc3c2)c(C(N)=O)cc1F)C(N)=O
InChIInChI=1S/C20H21FN6O2/c1-10(2)16(18(23)29)26-20-14(21)9-13(17(22)28)19(27-20)25-12-5-6-15-11(8-12)4-3-7-24-15/h3-10,16H,1-2H3,(H2,22,28)(H2,23,29)(H2,25,26,27)
InChIKeySJODEYFPRUDGNA-UHFFFAOYSA-N
MW396.43 g/mol
LogP2.53
Rot. Bonds7

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

6-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide (PubChem CID 67775657) has the molecular formula C20H21FN6O2 and a molecular weight of 396.43 g/mol. Its IUPAC name is 6-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide
PubChem CID67775657
Molecular FormulaC20H21FN6O2
Molecular Weight396.43 g/mol
Exact Mass396.17
IUPAC Name6-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide
SMILESCC(C)C(Nc1nc(Nc2ccc3ncccc3c2)c(C(N)=O)cc1F)C(N)=O
InChIInChI=1S/C20H21FN6O2/c1-10(2)16(18(23)29)26-20-14(21)9-13(17(22)28)19(27-20)25-12-5-6-15-11(8-12)4-3-7-24-15/h3-10,16H,1-2H3,(H2,22,28)(H2,23,29)(H2,25,26,27)
InChIKeySJODEYFPRUDGNA-UHFFFAOYSA-N
XLogP2.53
TPSA136.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide (CID 67775657) is 6-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide is CC(C)C(Nc1nc(Nc2ccc3ncccc3c2)c(C(N)=O)cc1F)C(N)=O.
What is the InChIKey of 6-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide?
The InChIKey is SJODEYFPRUDGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O2/c1-10(2)16(18(23)29)26-20-14(21)9-13(17(22)28)19(27-20)25-12-5-6-15-11(8-12)4-3-7-24-15/h3-10,16H,1-2H3,(H2,22,28)(H2,23,29)(H2,25,26,27).
What are the key properties of 6-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide?
6-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide has a molecular weight of 396.43 g/mol, XLogP of 2.53, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 67775657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).