5-(5-cyano-3-pyridinyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C23H20F3N5O3 — CID 118195111

IUPAC5-(5-cyano-3-pyridinyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCCN(CCO)c1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncc(C#N)c1
InChIInChI=1S/C23H20F3N5O3/c1-2-31(7-8-32)21-20(16-9-15(11-27)12-28-13-16)10-17(14-29-21)22(33)30-18-3-5-19(6-4-18)34-23(24,25)26/h3-6,9-10,12-14,32H,2,7-8H2,1H3,(H,30,33)
InChIKeyZJMVZCWYXVEPKM-UHFFFAOYSA-N
MW471.44 g/mol
LogP3.98
Rot. Bonds8

About 5-(5-cyano-3-pyridinyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

5-(5-cyano-3-pyridinyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 118195111) has the molecular formula C23H20F3N5O3 and a molecular weight of 471.44 g/mol. Its IUPAC name is 5-(5-cyano-3-pyridinyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(5-cyano-3-pyridinyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID118195111
Molecular FormulaC23H20F3N5O3
Molecular Weight471.44 g/mol
Exact Mass471.15
IUPAC Name5-(5-cyano-3-pyridinyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCCN(CCO)c1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncc(C#N)c1
InChIInChI=1S/C23H20F3N5O3/c1-2-31(7-8-32)21-20(16-9-15(11-27)12-28-13-16)10-17(14-29-21)22(33)30-18-3-5-19(6-4-18)34-23(24,25)26/h3-6,9-10,12-14,32H,2,7-8H2,1H3,(H,30,33)
InChIKeyZJMVZCWYXVEPKM-UHFFFAOYSA-N
XLogP3.98
TPSA111.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.44
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyano-3-pyridinyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-(5-cyano-3-pyridinyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 118195111) is 5-(5-cyano-3-pyridinyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(5-cyano-3-pyridinyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(5-cyano-3-pyridinyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is CCN(CCO)c1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncc(C#N)c1.
What is the InChIKey of 5-(5-cyano-3-pyridinyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is ZJMVZCWYXVEPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O3/c1-2-31(7-8-32)21-20(16-9-15(11-27)12-28-13-16)10-17(14-29-21)22(33)30-18-3-5-19(6-4-18)34-23(24,25)26/h3-6,9-10,12-14,32H,2,7-8H2,1H3,(H,30,33).
What are the key properties of 5-(5-cyano-3-pyridinyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
5-(5-cyano-3-pyridinyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 471.44 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyano-3-pyridinyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118195111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).