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

C21H23FN6O2 — CID 69284810

IUPAC6-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide
SMILESCC(C)C[C@@H](Nc1nc(Nc2cnc3ccccc3c2)c(C(N)=O)cc1F)C(N)=O
InChIInChI=1S/C21H23FN6O2/c1-11(2)7-17(19(24)30)27-21-15(22)9-14(18(23)29)20(28-21)26-13-8-12-5-3-4-6-16(12)25-10-13/h3-6,8-11,17H,7H2,1-2H3,(H2,23,29)(H2,24,30)(H2,26,27,28)/t17-/m1/s1
InChIKeyKAIGNGNQSVUYEG-QGZVFWFLSA-N
MW410.45 g/mol
LogP2.92
Rot. Bonds8

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

6-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide (PubChem CID 69284810) has the molecular formula C21H23FN6O2 and a molecular weight of 410.45 g/mol. Its IUPAC name is 6-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide
PubChem CID69284810
Molecular FormulaC21H23FN6O2
Molecular Weight410.45 g/mol
Exact Mass410.19
IUPAC Name6-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide
SMILESCC(C)C[C@@H](Nc1nc(Nc2cnc3ccccc3c2)c(C(N)=O)cc1F)C(N)=O
InChIInChI=1S/C21H23FN6O2/c1-11(2)7-17(19(24)30)27-21-15(22)9-14(18(23)29)20(28-21)26-13-8-12-5-3-4-6-16(12)25-10-13/h3-6,8-11,17H,7H2,1-2H3,(H2,23,29)(H2,24,30)(H2,26,27,28)/t17-/m1/s1
InChIKeyKAIGNGNQSVUYEG-QGZVFWFLSA-N
XLogP2.92
TPSA136.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide (CID 69284810) is 6-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide is CC(C)C[C@@H](Nc1nc(Nc2cnc3ccccc3c2)c(C(N)=O)cc1F)C(N)=O.
What is the InChIKey of 6-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide?
The InChIKey is KAIGNGNQSVUYEG-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23FN6O2/c1-11(2)7-17(19(24)30)27-21-15(22)9-14(18(23)29)20(28-21)26-13-8-12-5-3-4-6-16(12)25-10-13/h3-6,8-11,17H,7H2,1-2H3,(H2,23,29)(H2,24,30)(H2,26,27,28)/t17-/m1/s1.
What are the key properties of 6-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide?
6-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 2.92, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 69284810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).