5-chloro-6-[2-cyano-3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridine-3-carboxamide

C25H27ClN6O2 — CID 123958726

IUPAC5-chloro-6-[2-cyano-3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridine-3-carboxamide
SMILESCC1(C)CC(NC(=O)c2cnc(Oc3cccc(-c4cn[nH]c4)c3C#N)c(Cl)c2)CC(C)(C)N1
InChIInChI=1S/C25H27ClN6O2/c1-24(2)9-17(10-25(3,4)32-24)31-22(33)15-8-20(26)23(28-12-15)34-21-7-5-6-18(19(21)11-27)16-13-29-30-14-16/h5-8,12-14,17,32H,9-10H2,1-4H3,(H,29,30)(H,31,33)
InChIKeyPFMQONFUDLIELX-UHFFFAOYSA-N
MW478.98 g/mol
LogP4.83
Rot. Bonds5

About 5-chloro-6-[2-cyano-3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridine-3-carboxamide

5-chloro-6-[2-cyano-3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridine-3-carboxamide (PubChem CID 123958726) has the molecular formula C25H27ClN6O2 and a molecular weight of 478.98 g/mol. Its IUPAC name is 5-chloro-6-[2-cyano-3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[2-cyano-3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridine-3-carboxamide
PubChem CID123958726
Molecular FormulaC25H27ClN6O2
Molecular Weight478.98 g/mol
Exact Mass478.19
IUPAC Name5-chloro-6-[2-cyano-3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridine-3-carboxamide
SMILESCC1(C)CC(NC(=O)c2cnc(Oc3cccc(-c4cn[nH]c4)c3C#N)c(Cl)c2)CC(C)(C)N1
InChIInChI=1S/C25H27ClN6O2/c1-24(2)9-17(10-25(3,4)32-24)31-22(33)15-8-20(26)23(28-12-15)34-21-7-5-6-18(19(21)11-27)16-13-29-30-14-16/h5-8,12-14,17,32H,9-10H2,1-4H3,(H,29,30)(H,31,33)
InChIKeyPFMQONFUDLIELX-UHFFFAOYSA-N
XLogP4.83
TPSA115.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.98
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[2-cyano-3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[2-cyano-3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridine-3-carboxamide (CID 123958726) is 5-chloro-6-[2-cyano-3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[2-cyano-3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[2-cyano-3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridine-3-carboxamide is CC1(C)CC(NC(=O)c2cnc(Oc3cccc(-c4cn[nH]c4)c3C#N)c(Cl)c2)CC(C)(C)N1.
What is the InChIKey of 5-chloro-6-[2-cyano-3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridine-3-carboxamide?
The InChIKey is PFMQONFUDLIELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN6O2/c1-24(2)9-17(10-25(3,4)32-24)31-22(33)15-8-20(26)23(28-12-15)34-21-7-5-6-18(19(21)11-27)16-13-29-30-14-16/h5-8,12-14,17,32H,9-10H2,1-4H3,(H,29,30)(H,31,33).
What are the key properties of 5-chloro-6-[2-cyano-3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridine-3-carboxamide?
5-chloro-6-[2-cyano-3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridine-3-carboxamide has a molecular weight of 478.98 g/mol, XLogP of 4.83, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[2-cyano-3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 123958726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).