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

C23H20ClF2N5O3 — CID 118195139

IUPACN-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-3-pyridinyl)-6-[ethyl(2-hydroxyethyl)amino]pyridine-3-carboxamide
SMILESCCN(CCO)c1ncc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cc1-c1cncc(C#N)c1
InChIInChI=1S/C23H20ClF2N5O3/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)
InChIKeySGDIERBZNDVJRB-UHFFFAOYSA-N
MW487.89 g/mol
LogP4.25
Rot. Bonds9

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

N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-3-pyridinyl)-6-[ethyl(2-hydroxyethyl)amino]pyridine-3-carboxamide (PubChem CID 118195139) has the molecular formula C23H20ClF2N5O3 and a molecular weight of 487.89 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-3-pyridinyl)-6-[ethyl(2-hydroxyethyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-3-pyridinyl)-6-[ethyl(2-hydroxyethyl)amino]pyridine-3-carboxamide
PubChem CID118195139
Molecular FormulaC23H20ClF2N5O3
Molecular Weight487.89 g/mol
Exact Mass487.12
IUPAC NameN-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-3-pyridinyl)-6-[ethyl(2-hydroxyethyl)amino]pyridine-3-carboxamide
SMILESCCN(CCO)c1ncc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cc1-c1cncc(C#N)c1
InChIInChI=1S/C23H20ClF2N5O3/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)
InChIKeySGDIERBZNDVJRB-UHFFFAOYSA-N
XLogP4.25
TPSA111.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.89
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-3-pyridinyl)-6-[ethyl(2-hydroxyethyl)amino]pyridine-3-carboxamide?
The IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-3-pyridinyl)-6-[ethyl(2-hydroxyethyl)amino]pyridine-3-carboxamide (CID 118195139) is N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-3-pyridinyl)-6-[ethyl(2-hydroxyethyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-3-pyridinyl)-6-[ethyl(2-hydroxyethyl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-3-pyridinyl)-6-[ethyl(2-hydroxyethyl)amino]pyridine-3-carboxamide is CCN(CCO)c1ncc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cc1-c1cncc(C#N)c1.
What is the InChIKey of N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-3-pyridinyl)-6-[ethyl(2-hydroxyethyl)amino]pyridine-3-carboxamide?
The InChIKey is SGDIERBZNDVJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF2N5O3/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 N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-3-pyridinyl)-6-[ethyl(2-hydroxyethyl)amino]pyridine-3-carboxamide?
N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-3-pyridinyl)-6-[ethyl(2-hydroxyethyl)amino]pyridine-3-carboxamide has a molecular weight of 487.89 g/mol, XLogP of 4.25, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-3-pyridinyl)-6-[ethyl(2-hydroxyethyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 118195139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).