6-[(3-chloro-5-cyano-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-1-hydroxypropan-2-yl]amino]pyridine-3-carboxamide

C20H24ClFN6O3 — CID 75202518

IUPAC6-[(3-chloro-5-cyano-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-1-hydroxypropan-2-yl]amino]pyridine-3-carboxamide
SMILESC[C@@H](CO)Nc1cc(Nc2ncc(C#N)cc2Cl)ncc1C(=O)NC[C@@H](F)C(C)(C)O
InChIInChI=1S/C20H24ClFN6O3/c1-11(10-29)27-15-5-17(28-18-14(21)4-12(6-23)7-25-18)24-8-13(15)19(30)26-9-16(22)20(2,3)31/h4-5,7-8,11,16,29,31H,9-10H2,1-3H3,(H,26,30)(H2,24,25,27,28)/t11-,16+/m0/s1
InChIKeyVIPGYHQWEXYPEI-MEDUHNTESA-N
MW450.90 g/mol
LogP2.38
Rot. Bonds9

About 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-1-hydroxypropan-2-yl]amino]pyridine-3-carboxamide

6-[(3-chloro-5-cyano-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-1-hydroxypropan-2-yl]amino]pyridine-3-carboxamide (PubChem CID 75202518) has the molecular formula C20H24ClFN6O3 and a molecular weight of 450.90 g/mol. Its IUPAC name is 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-1-hydroxypropan-2-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3-chloro-5-cyano-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-1-hydroxypropan-2-yl]amino]pyridine-3-carboxamide
PubChem CID75202518
Molecular FormulaC20H24ClFN6O3
Molecular Weight450.90 g/mol
Exact Mass450.16
IUPAC Name6-[(3-chloro-5-cyano-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-1-hydroxypropan-2-yl]amino]pyridine-3-carboxamide
SMILESC[C@@H](CO)Nc1cc(Nc2ncc(C#N)cc2Cl)ncc1C(=O)NC[C@@H](F)C(C)(C)O
InChIInChI=1S/C20H24ClFN6O3/c1-11(10-29)27-15-5-17(28-18-14(21)4-12(6-23)7-25-18)24-8-13(15)19(30)26-9-16(22)20(2,3)31/h4-5,7-8,11,16,29,31H,9-10H2,1-3H3,(H,26,30)(H2,24,25,27,28)/t11-,16+/m0/s1
InChIKeyVIPGYHQWEXYPEI-MEDUHNTESA-N
XLogP2.38
TPSA143.19 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.90
LogP ≤ 52.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-1-hydroxypropan-2-yl]amino]pyridine-3-carboxamide?
The IUPAC name of 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-1-hydroxypropan-2-yl]amino]pyridine-3-carboxamide (CID 75202518) is 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-1-hydroxypropan-2-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-1-hydroxypropan-2-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-1-hydroxypropan-2-yl]amino]pyridine-3-carboxamide is C[C@@H](CO)Nc1cc(Nc2ncc(C#N)cc2Cl)ncc1C(=O)NC[C@@H](F)C(C)(C)O.
What is the InChIKey of 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-1-hydroxypropan-2-yl]amino]pyridine-3-carboxamide?
The InChIKey is VIPGYHQWEXYPEI-MEDUHNTESA-N. The full InChI is InChI=1S/C20H24ClFN6O3/c1-11(10-29)27-15-5-17(28-18-14(21)4-12(6-23)7-25-18)24-8-13(15)19(30)26-9-16(22)20(2,3)31/h4-5,7-8,11,16,29,31H,9-10H2,1-3H3,(H,26,30)(H2,24,25,27,28)/t11-,16+/m0/s1.
What are the key properties of 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-1-hydroxypropan-2-yl]amino]pyridine-3-carboxamide?
6-[(3-chloro-5-cyano-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-1-hydroxypropan-2-yl]amino]pyridine-3-carboxamide has a molecular weight of 450.90 g/mol, XLogP of 2.38, 9 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-1-hydroxypropan-2-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 75202518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).