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

C21H22FN5O2 — CID 123149482

IUPAC6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide
SMILESCCC(C(N)=O)N(C)c1nc(Nc2ccc3ccccc3c2)c(C(N)=O)cc1F
InChIInChI=1S/C21H22FN5O2/c1-3-17(19(24)29)27(2)21-16(22)11-15(18(23)28)20(26-21)25-14-9-8-12-6-4-5-7-13(12)10-14/h4-11,17H,3H2,1-2H3,(H2,23,28)(H2,24,29)(H,25,26)
InChIKeyOWIWGIZJXGFARX-UHFFFAOYSA-N
MW395.44 g/mol
LogP2.92
Rot. Bonds7

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

6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide (PubChem CID 123149482) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide
PubChem CID123149482
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC Name6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide
SMILESCCC(C(N)=O)N(C)c1nc(Nc2ccc3ccccc3c2)c(C(N)=O)cc1F
InChIInChI=1S/C21H22FN5O2/c1-3-17(19(24)29)27(2)21-16(22)11-15(18(23)28)20(26-21)25-14-9-8-12-6-4-5-7-13(12)10-14/h4-11,17H,3H2,1-2H3,(H2,23,28)(H2,24,29)(H,25,26)
InChIKeyOWIWGIZJXGFARX-UHFFFAOYSA-N
XLogP2.92
TPSA114.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide (CID 123149482) is 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide is CCC(C(N)=O)N(C)c1nc(Nc2ccc3ccccc3c2)c(C(N)=O)cc1F.
What is the InChIKey of 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide?
The InChIKey is OWIWGIZJXGFARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c1-3-17(19(24)29)27(2)21-16(22)11-15(18(23)28)20(26-21)25-14-9-8-12-6-4-5-7-13(12)10-14/h4-11,17H,3H2,1-2H3,(H2,23,28)(H2,24,29)(H,25,26).
What are the key properties of 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide?
6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 2.92, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 123149482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).