5-(4-chlorophenyl)-2-(3-hydroxypropyl)-N'-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide

C18H19ClF3N3O3 — CID 89443852

IUPAC5-(4-chlorophenyl)-2-(3-hydroxypropyl)-N'-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide
SMILESCNNC(=O)c1cc(-c2ccc(Cl)cc2)c(OCC(F)(F)F)nc1CCCO
InChIInChI=1S/C18H19ClF3N3O3/c1-23-25-16(27)14-9-13(11-4-6-12(19)7-5-11)17(28-10-18(20,21)22)24-15(14)3-2-8-26/h4-7,9,23,26H,2-3,8,10H2,1H3,(H,25,27)
InChIKeyXQGYWJAREIMLSK-UHFFFAOYSA-N
MW417.82 g/mol
LogP3.13
Rot. Bonds8

About 5-(4-chlorophenyl)-2-(3-hydroxypropyl)-N'-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide

5-(4-chlorophenyl)-2-(3-hydroxypropyl)-N'-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide (PubChem CID 89443852) has the molecular formula C18H19ClF3N3O3 and a molecular weight of 417.82 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-(3-hydroxypropyl)-N'-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-(3-hydroxypropyl)-N'-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide
PubChem CID89443852
Molecular FormulaC18H19ClF3N3O3
Molecular Weight417.82 g/mol
Exact Mass417.11
IUPAC Name5-(4-chlorophenyl)-2-(3-hydroxypropyl)-N'-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide
SMILESCNNC(=O)c1cc(-c2ccc(Cl)cc2)c(OCC(F)(F)F)nc1CCCO
InChIInChI=1S/C18H19ClF3N3O3/c1-23-25-16(27)14-9-13(11-4-6-12(19)7-5-11)17(28-10-18(20,21)22)24-15(14)3-2-8-26/h4-7,9,23,26H,2-3,8,10H2,1H3,(H,25,27)
InChIKeyXQGYWJAREIMLSK-UHFFFAOYSA-N
XLogP3.13
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.82
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylpyridine-3-carboxamide
CID 56961607
5-[[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamoyl]pyridine-3-carboxylic acid
CID 67280524
N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methylfuran-2-carboxamide
CID 56961282
pyrimidin-5-yl N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 121433854
N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 56961283
2-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-pyrimidin-5-ylethanone
CID 149147838
5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]methyl]pyridazine-3-carboxamide
CID 56929003
(2E)-N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methoxyiminopropanamide
CID 56961894
5-(4-chlorophenyl)-N-[4-(2-hydroxyethyl)piperidin-1-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 71293948
5-(4-chlorophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 67971298
5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 11952383
2-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-phenylethanone
CID 149327782

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-(3-hydroxypropyl)-N'-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide?
The IUPAC name of 5-(4-chlorophenyl)-2-(3-hydroxypropyl)-N'-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide (CID 89443852) is 5-(4-chlorophenyl)-2-(3-hydroxypropyl)-N'-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide.
What is the SMILES notation for 5-(4-chlorophenyl)-2-(3-hydroxypropyl)-N'-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide?
The canonical SMILES for 5-(4-chlorophenyl)-2-(3-hydroxypropyl)-N'-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide is CNNC(=O)c1cc(-c2ccc(Cl)cc2)c(OCC(F)(F)F)nc1CCCO.
What is the InChIKey of 5-(4-chlorophenyl)-2-(3-hydroxypropyl)-N'-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide?
The InChIKey is XQGYWJAREIMLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF3N3O3/c1-23-25-16(27)14-9-13(11-4-6-12(19)7-5-11)17(28-10-18(20,21)22)24-15(14)3-2-8-26/h4-7,9,23,26H,2-3,8,10H2,1H3,(H,25,27).
What are the key properties of 5-(4-chlorophenyl)-2-(3-hydroxypropyl)-N'-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide?
5-(4-chlorophenyl)-2-(3-hydroxypropyl)-N'-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide has a molecular weight of 417.82 g/mol, XLogP of 3.13, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-(3-hydroxypropyl)-N'-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide is sourced from PubChem (CID 89443852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).