6-(3-aminobutan-2-ylamino)-5-fluoro-2-[(5-phenyl-3-pyridinyl)amino]pyridine-3-carboxamide

C21H23FN6O — CID 135305661

IUPAC6-(3-aminobutan-2-ylamino)-5-fluoro-2-[(5-phenyl-3-pyridinyl)amino]pyridine-3-carboxamide
SMILESCC(N)C(C)Nc1nc(Nc2cncc(-c3ccccc3)c2)c(C(N)=O)cc1F
InChIInChI=1S/C21H23FN6O/c1-12(23)13(2)26-21-18(22)9-17(19(24)29)20(28-21)27-16-8-15(10-25-11-16)14-6-4-3-5-7-14/h3-13H,23H2,1-2H3,(H2,24,29)(H2,26,27,28)
InChIKeyMZICGLYXSZHXJC-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.27
Rot. Bonds7

About 6-(3-aminobutan-2-ylamino)-5-fluoro-2-[(5-phenyl-3-pyridinyl)amino]pyridine-3-carboxamide

6-(3-aminobutan-2-ylamino)-5-fluoro-2-[(5-phenyl-3-pyridinyl)amino]pyridine-3-carboxamide (PubChem CID 135305661) has the molecular formula C21H23FN6O and a molecular weight of 394.45 g/mol. Its IUPAC name is 6-(3-aminobutan-2-ylamino)-5-fluoro-2-[(5-phenyl-3-pyridinyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-aminobutan-2-ylamino)-5-fluoro-2-[(5-phenyl-3-pyridinyl)amino]pyridine-3-carboxamide
PubChem CID135305661
Molecular FormulaC21H23FN6O
Molecular Weight394.45 g/mol
Exact Mass394.19
IUPAC Name6-(3-aminobutan-2-ylamino)-5-fluoro-2-[(5-phenyl-3-pyridinyl)amino]pyridine-3-carboxamide
SMILESCC(N)C(C)Nc1nc(Nc2cncc(-c3ccccc3)c2)c(C(N)=O)cc1F
InChIInChI=1S/C21H23FN6O/c1-12(23)13(2)26-21-18(22)9-17(19(24)29)20(28-21)27-16-8-15(10-25-11-16)14-6-4-3-5-7-14/h3-13H,23H2,1-2H3,(H2,24,29)(H2,26,27,28)
InChIKeyMZICGLYXSZHXJC-UHFFFAOYSA-N
XLogP3.27
TPSA118.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[(2S,3R)-3-aminobutan-2-yl]amino]-5-fluoro-2-[(5-phenyl-3-pyridinyl)amino]pyridine-3-carboxamide;pyridine-3-carboxamide
CID 158206306
6-(3-aminobutan-2-ylamino)-5-fluoro-2-[(7-methoxyquinolin-3-yl)amino]pyridine-3-carboxamide
CID 135305703
6-(3-aminobutan-2-ylamino)-2-[(1-ethylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide
CID 135305750
6-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide
CID 69284810
6-(4-aminobutan-2-ylamino)-5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide
CID 67510408
6-[[(1R)-2-aminocyclohexyl]-methylamino]-2-[[5-(3-aminophenyl)-3-pyridinyl]amino]-5-fluoropyridine-3-carboxamide
CID 68612196
6-[(1-amino-4,4-difluoro-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide
CID 67514681
6-[[(2R)-1-aminobutan-2-yl]amino]-5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide
CID 67509066
6-(2-aminohexan-3-ylamino)-5-fluoro-2-[[7-(2-methoxyethoxy)quinolin-3-yl]amino]pyridine-3-carboxamide
CID 135305651
6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[[5-(1,2-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide
CID 68624943
6-(3-carbamoylpentan-2-ylamino)-5-fluoro-2-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide
CID 123699553
5-phenyl-N-(5-phenyl-3-pyridinyl)pyridin-3-amine
CID 146533965

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminobutan-2-ylamino)-5-fluoro-2-[(5-phenyl-3-pyridinyl)amino]pyridine-3-carboxamide?
The IUPAC name of 6-(3-aminobutan-2-ylamino)-5-fluoro-2-[(5-phenyl-3-pyridinyl)amino]pyridine-3-carboxamide (CID 135305661) is 6-(3-aminobutan-2-ylamino)-5-fluoro-2-[(5-phenyl-3-pyridinyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-aminobutan-2-ylamino)-5-fluoro-2-[(5-phenyl-3-pyridinyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-aminobutan-2-ylamino)-5-fluoro-2-[(5-phenyl-3-pyridinyl)amino]pyridine-3-carboxamide is CC(N)C(C)Nc1nc(Nc2cncc(-c3ccccc3)c2)c(C(N)=O)cc1F.
What is the InChIKey of 6-(3-aminobutan-2-ylamino)-5-fluoro-2-[(5-phenyl-3-pyridinyl)amino]pyridine-3-carboxamide?
The InChIKey is MZICGLYXSZHXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O/c1-12(23)13(2)26-21-18(22)9-17(19(24)29)20(28-21)27-16-8-15(10-25-11-16)14-6-4-3-5-7-14/h3-13H,23H2,1-2H3,(H2,24,29)(H2,26,27,28).
What are the key properties of 6-(3-aminobutan-2-ylamino)-5-fluoro-2-[(5-phenyl-3-pyridinyl)amino]pyridine-3-carboxamide?
6-(3-aminobutan-2-ylamino)-5-fluoro-2-[(5-phenyl-3-pyridinyl)amino]pyridine-3-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 3.27, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminobutan-2-ylamino)-5-fluoro-2-[(5-phenyl-3-pyridinyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 135305661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).