5-chloro-N'-[2-(4-ethoxyphenoxy)propanoyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide

C19H19ClF3N3O5 — CID 46490672

IUPAC5-chloro-N'-[2-(4-ethoxyphenoxy)propanoyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)c2cnc(OCC(F)(F)F)c(Cl)c2)cc1
InChIInChI=1S/C19H19ClF3N3O5/c1-3-29-13-4-6-14(7-5-13)31-11(2)16(27)25-26-17(28)12-8-15(20)18(24-9-12)30-10-19(21,22)23/h4-9,11H,3,10H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyANXYIMPPRSLCBR-UHFFFAOYSA-N
MW461.82 g/mol
LogP3.30
Rot. Bonds8

About 5-chloro-N'-[2-(4-ethoxyphenoxy)propanoyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide

5-chloro-N'-[2-(4-ethoxyphenoxy)propanoyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide (PubChem CID 46490672) has the molecular formula C19H19ClF3N3O5 and a molecular weight of 461.82 g/mol. Its IUPAC name is 5-chloro-N'-[2-(4-ethoxyphenoxy)propanoyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide.

Molecular Properties

Compound Name5-chloro-N'-[2-(4-ethoxyphenoxy)propanoyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide
PubChem CID46490672
Molecular FormulaC19H19ClF3N3O5
Molecular Weight461.82 g/mol
Exact Mass461.10
IUPAC Name5-chloro-N'-[2-(4-ethoxyphenoxy)propanoyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)c2cnc(OCC(F)(F)F)c(Cl)c2)cc1
InChIInChI=1S/C19H19ClF3N3O5/c1-3-29-13-4-6-14(7-5-13)31-11(2)16(27)25-26-17(28)12-8-15(20)18(24-9-12)30-10-19(21,22)23/h4-9,11H,3,10H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyANXYIMPPRSLCBR-UHFFFAOYSA-N
XLogP3.30
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.82
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
CID 43003826
5-chloro-N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-fluorobenzohydrazide
CID 9088683
7-chloro-N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-1,3-benzodioxole-5-carbohydrazide
CID 9428469
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-4-methylsulfanylbenzohydrazide
CID 8573954
N'-[2-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805
methyl 4-[[[(2S)-2-(4-ethoxyphenoxy)propanoyl]amino]carbamoyl]benzoate
CID 9343601
N'-[2-(4-ethoxyphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide
CID 24503076
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 9088677
4-ethoxy-N'-[2-(2,2,2-trifluoroethoxy)acetyl]benzohydrazide
CID 86990376
3-cyano-N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
CID 8960544
(2S)-N'-[2-(3-chlorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide
CID 9343185
N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9343683

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-[2-(4-ethoxyphenoxy)propanoyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide?
The IUPAC name of 5-chloro-N'-[2-(4-ethoxyphenoxy)propanoyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide (CID 46490672) is 5-chloro-N'-[2-(4-ethoxyphenoxy)propanoyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide.
What is the SMILES notation for 5-chloro-N'-[2-(4-ethoxyphenoxy)propanoyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide?
The canonical SMILES for 5-chloro-N'-[2-(4-ethoxyphenoxy)propanoyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide is CCOc1ccc(OC(C)C(=O)NNC(=O)c2cnc(OCC(F)(F)F)c(Cl)c2)cc1.
What is the InChIKey of 5-chloro-N'-[2-(4-ethoxyphenoxy)propanoyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide?
The InChIKey is ANXYIMPPRSLCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N3O5/c1-3-29-13-4-6-14(7-5-13)31-11(2)16(27)25-26-17(28)12-8-15(20)18(24-9-12)30-10-19(21,22)23/h4-9,11H,3,10H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 5-chloro-N'-[2-(4-ethoxyphenoxy)propanoyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide?
5-chloro-N'-[2-(4-ethoxyphenoxy)propanoyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide has a molecular weight of 461.82 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-[2-(4-ethoxyphenoxy)propanoyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide is sourced from PubChem (CID 46490672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).