6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide

C19H19FN6O2 — CID 67511159

IUPAC6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide
SMILESCC[C@@H](Nc1nc(Nc2ccc3cccnc3c2)c(C(N)=O)cc1F)C(N)=O
InChIInChI=1S/C19H19FN6O2/c1-2-14(17(22)28)25-19-13(20)9-12(16(21)27)18(26-19)24-11-6-5-10-4-3-7-23-15(10)8-11/h3-9,14H,2H2,1H3,(H2,21,27)(H2,22,28)(H2,24,25,26)/t14-/m1/s1
InChIKeyAEXXZYFSNSRSLE-CQSZACIVSA-N
MW382.40 g/mol
LogP2.29
Rot. Bonds7

About 6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide

6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide (PubChem CID 67511159) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is 6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide
PubChem CID67511159
Molecular FormulaC19H19FN6O2
Molecular Weight382.40 g/mol
Exact Mass382.16
IUPAC Name6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide
SMILESCC[C@@H](Nc1nc(Nc2ccc3cccnc3c2)c(C(N)=O)cc1F)C(N)=O
InChIInChI=1S/C19H19FN6O2/c1-2-14(17(22)28)25-19-13(20)9-12(16(21)27)18(26-19)24-11-6-5-10-4-3-7-23-15(10)8-11/h3-9,14H,2H2,1H3,(H2,21,27)(H2,22,28)(H2,24,25,26)/t14-/m1/s1
InChIKeyAEXXZYFSNSRSLE-CQSZACIVSA-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-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide (CID 67511159) is 6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide is CC[C@@H](Nc1nc(Nc2ccc3cccnc3c2)c(C(N)=O)cc1F)C(N)=O.
What is the InChIKey of 6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide?
The InChIKey is AEXXZYFSNSRSLE-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19FN6O2/c1-2-14(17(22)28)25-19-13(20)9-12(16(21)27)18(26-19)24-11-6-5-10-4-3-7-23-15(10)8-11/h3-9,14H,2H2,1H3,(H2,21,27)(H2,22,28)(H2,24,25,26)/t14-/m1/s1.
What are the key properties of 6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide?
6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(quinolin-7-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-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 67511159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).