6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-methoxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide

C21H26F2N6O2 — CID 75202516

IUPAC6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-methoxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCOC(C)(C)[C@H](F)CNC(=O)c1cnc(Nc2ncc(C#N)cc2F)cc1NC(C)C
InChIInChI=1S/C21H26F2N6O2/c1-12(2)28-16-7-18(29-19-15(22)6-13(8-24)9-26-19)25-10-14(16)20(30)27-11-17(23)21(3,4)31-5/h6-7,9-10,12,17H,11H2,1-5H3,(H,27,30)(H2,25,26,28,29)/t17-/m1/s1
InChIKeyJTLRIQVZZHIXPT-QGZVFWFLSA-N
MW432.48 g/mol
LogP3.54
Rot. Bonds9

About 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-methoxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide

6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-methoxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 75202516) has the molecular formula C21H26F2N6O2 and a molecular weight of 432.48 g/mol. Its IUPAC name is 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-methoxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-methoxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID75202516
Molecular FormulaC21H26F2N6O2
Molecular Weight432.48 g/mol
Exact Mass432.21
IUPAC Name6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-methoxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCOC(C)(C)[C@H](F)CNC(=O)c1cnc(Nc2ncc(C#N)cc2F)cc1NC(C)C
InChIInChI=1S/C21H26F2N6O2/c1-12(2)28-16-7-18(29-19-15(22)6-13(8-24)9-26-19)25-10-14(16)20(30)27-11-17(23)21(3,4)31-5/h6-7,9-10,12,17H,11H2,1-5H3,(H,27,30)(H2,25,26,28,29)/t17-/m1/s1
InChIKeyJTLRIQVZZHIXPT-QGZVFWFLSA-N
XLogP3.54
TPSA111.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-methoxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-methoxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 75202516) is 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-methoxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-methoxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-methoxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is COC(C)(C)[C@H](F)CNC(=O)c1cnc(Nc2ncc(C#N)cc2F)cc1NC(C)C.
What is the InChIKey of 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-methoxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is JTLRIQVZZHIXPT-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26F2N6O2/c1-12(2)28-16-7-18(29-19-15(22)6-13(8-24)9-26-19)25-10-14(16)20(30)27-11-17(23)21(3,4)31-5/h6-7,9-10,12,17H,11H2,1-5H3,(H,27,30)(H2,25,26,28,29)/t17-/m1/s1.
What are the key properties of 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-methoxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-methoxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 3.54, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-methoxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 75202516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).