6-[[(2R)-1-aminobutan-2-yl]amino]-5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide

C20H22FN7O — CID 67509066

IUPAC6-[[(2R)-1-aminobutan-2-yl]amino]-5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide
SMILESCC[C@H](CN)Nc1nc(Nc2cccc(-c3ncccn3)c2)c(C(N)=O)cc1F
InChIInChI=1S/C20H22FN7O/c1-2-13(11-22)26-20-16(21)10-15(17(23)29)19(28-20)27-14-6-3-5-12(9-14)18-24-7-4-8-25-18/h3-10,13H,2,11,22H2,1H3,(H2,23,29)(H2,26,27,28)/t13-/m1/s1
InChIKeyZTZUORJNFFEFNP-CYBMUJFWSA-N
MW395.44 g/mol
LogP2.67
Rot. Bonds8

About 6-[[(2R)-1-aminobutan-2-yl]amino]-5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide

6-[[(2R)-1-aminobutan-2-yl]amino]-5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide (PubChem CID 67509066) has the molecular formula C20H22FN7O and a molecular weight of 395.44 g/mol. Its IUPAC name is 6-[[(2R)-1-aminobutan-2-yl]amino]-5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(2R)-1-aminobutan-2-yl]amino]-5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide
PubChem CID67509066
Molecular FormulaC20H22FN7O
Molecular Weight395.44 g/mol
Exact Mass395.19
IUPAC Name6-[[(2R)-1-aminobutan-2-yl]amino]-5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide
SMILESCC[C@H](CN)Nc1nc(Nc2cccc(-c3ncccn3)c2)c(C(N)=O)cc1F
InChIInChI=1S/C20H22FN7O/c1-2-13(11-22)26-20-16(21)10-15(17(23)29)19(28-20)27-14-6-3-5-12(9-14)18-24-7-4-8-25-18/h3-10,13H,2,11,22H2,1H3,(H2,23,29)(H2,26,27,28)/t13-/m1/s1
InChIKeyZTZUORJNFFEFNP-CYBMUJFWSA-N
XLogP2.67
TPSA131.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2R)-1-aminobutan-2-yl]amino]-5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide?
The IUPAC name of 6-[[(2R)-1-aminobutan-2-yl]amino]-5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide (CID 67509066) is 6-[[(2R)-1-aminobutan-2-yl]amino]-5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[(2R)-1-aminobutan-2-yl]amino]-5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for 6-[[(2R)-1-aminobutan-2-yl]amino]-5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide is CC[C@H](CN)Nc1nc(Nc2cccc(-c3ncccn3)c2)c(C(N)=O)cc1F.
What is the InChIKey of 6-[[(2R)-1-aminobutan-2-yl]amino]-5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide?
The InChIKey is ZTZUORJNFFEFNP-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H22FN7O/c1-2-13(11-22)26-20-16(21)10-15(17(23)29)19(28-20)27-14-6-3-5-12(9-14)18-24-7-4-8-25-18/h3-10,13H,2,11,22H2,1H3,(H2,23,29)(H2,26,27,28)/t13-/m1/s1.
What are the key properties of 6-[[(2R)-1-aminobutan-2-yl]amino]-5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide?
6-[[(2R)-1-aminobutan-2-yl]amino]-5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 2.67, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R)-1-aminobutan-2-yl]amino]-5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 67509066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).