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

C21H23FN6O2 — CID 123570338

IUPAC6-[(1-amino-3-methyl-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide
SMILESCC(C)C(C(N)=O)N(C)c1nc(Nc2ccc3ncccc3c2)c(C(N)=O)cc1F
InChIInChI=1S/C21H23FN6O2/c1-11(2)17(19(24)30)28(3)21-15(22)10-14(18(23)29)20(27-21)26-13-6-7-16-12(9-13)5-4-8-25-16/h4-11,17H,1-3H3,(H2,23,29)(H2,24,30)(H,26,27)
InChIKeyFNEIDLKAXALWSV-UHFFFAOYSA-N
MW410.45 g/mol
LogP2.56
Rot. Bonds7

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

6-[(1-amino-3-methyl-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide (PubChem CID 123570338) has the molecular formula C21H23FN6O2 and a molecular weight of 410.45 g/mol. Its IUPAC name is 6-[(1-amino-3-methyl-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(1-amino-3-methyl-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide
PubChem CID123570338
Molecular FormulaC21H23FN6O2
Molecular Weight410.45 g/mol
Exact Mass410.19
IUPAC Name6-[(1-amino-3-methyl-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide
SMILESCC(C)C(C(N)=O)N(C)c1nc(Nc2ccc3ncccc3c2)c(C(N)=O)cc1F
InChIInChI=1S/C21H23FN6O2/c1-11(2)17(19(24)30)28(3)21-15(22)10-14(18(23)29)20(27-21)26-13-6-7-16-12(9-13)5-4-8-25-16/h4-11,17H,1-3H3,(H2,23,29)(H2,24,30)(H,26,27)
InChIKeyFNEIDLKAXALWSV-UHFFFAOYSA-N
XLogP2.56
TPSA127.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(quinolin-5-ylamino)pyridine-3-carboxamide
CID 123761741
3-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-(quinolin-6-ylamino)-1,2,4-triazine-6-carboxamide
CID 72705614
6-[amino(4-oxobutan-2-yl)amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide
CID 87426784
6-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide
CID 69284810
6-[carbamoyl(cyclohexyl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide
CID 67509222
(1-amino-1-oxobutan-2-yl)-[5-carbamoyl-4-(quinolin-7-ylamino)pyrimidin-2-yl]-dimethylazanium
CID 123760565
6-[[(2R)-1-aminopropan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-butan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-butan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide;6-chloro-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile
CID 157497878
6-[amino-[(2R)-4-oxobutan-2-yl]amino]-2-(1,3-benzothiazol-6-ylamino)-5-fluoropyridine-3-carboxamide
CID 87426843
methyl 2-(quinolin-6-ylamino)propanoate
CID 66172945
6-[(1-amino-4,4-difluoro-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide
CID 67514681
6-(4-aminobutan-2-ylamino)-5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide
CID 67510408
2-(quinolin-6-ylamino)pyridin-3-ol
CID 139352880

Frequently Asked Questions

What is the IUPAC name of 6-[(1-amino-3-methyl-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-[(1-amino-3-methyl-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide (CID 123570338) is 6-[(1-amino-3-methyl-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(1-amino-3-methyl-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-[(1-amino-3-methyl-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide is CC(C)C(C(N)=O)N(C)c1nc(Nc2ccc3ncccc3c2)c(C(N)=O)cc1F.
What is the InChIKey of 6-[(1-amino-3-methyl-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide?
The InChIKey is FNEIDLKAXALWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O2/c1-11(2)17(19(24)30)28(3)21-15(22)10-14(18(23)29)20(27-21)26-13-6-7-16-12(9-13)5-4-8-25-16/h4-11,17H,1-3H3,(H2,23,29)(H2,24,30)(H,26,27).
What are the key properties of 6-[(1-amino-3-methyl-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide?
6-[(1-amino-3-methyl-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 2.56, 7 rotatable bonds, 3 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)-methylamino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 123570338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).