N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]butanoyl]-2-pyridinyl]-2-methylpropanamide

C19H19ClF3N3O3 — CID 159112779

IUPACN-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]butanoyl]-2-pyridinyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(C(=O)CCCOc2ncc(C(F)(F)F)cc2Cl)ccn1
InChIInChI=1S/C19H19ClF3N3O3/c1-11(2)17(28)26-16-8-12(5-6-24-16)15(27)4-3-7-29-18-14(20)9-13(10-25-18)19(21,22)23/h5-6,8-11H,3-4,7H2,1-2H3,(H,24,26,28)
InChIKeyKERZNWLQOVNRLI-UHFFFAOYSA-N
MW429.83 g/mol
LogP4.79
Rot. Bonds8

About N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]butanoyl]-2-pyridinyl]-2-methylpropanamide

N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]butanoyl]-2-pyridinyl]-2-methylpropanamide (PubChem CID 159112779) has the molecular formula C19H19ClF3N3O3 and a molecular weight of 429.83 g/mol. Its IUPAC name is N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]butanoyl]-2-pyridinyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]butanoyl]-2-pyridinyl]-2-methylpropanamide
PubChem CID159112779
Molecular FormulaC19H19ClF3N3O3
Molecular Weight429.83 g/mol
Exact Mass429.11
IUPAC NameN-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]butanoyl]-2-pyridinyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(C(=O)CCCOc2ncc(C(F)(F)F)cc2Cl)ccn1
InChIInChI=1S/C19H19ClF3N3O3/c1-11(2)17(28)26-16-8-12(5-6-24-16)15(27)4-3-7-29-18-14(20)9-13(10-25-18)19(21,22)23/h5-6,8-11H,3-4,7H2,1-2H3,(H,24,26,28)
InChIKeyKERZNWLQOVNRLI-UHFFFAOYSA-N
XLogP4.79
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.83
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]butanoyl]-2-pyridinyl]propanamide
CID 158943598
N-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 153311479
N-[4-[N'-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]carbamimidoyl]-2-pyridinyl]-2-methylpropanamide
CID 155416902
N-[4-[N'-[(2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamimidoyl]-2-pyridinyl]cyclopropanecarboxamide
CID 155416899
N-[4-[4-[2-methyl-4-(trifluoromethyl)phenoxy]butanoyl]-2-pyridinyl]propanamide
CID 159177897
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-6-methyl-2-(2-methylpropanoylamino)pyrimidine-4-carboxamide
CID 142503841
N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]butanoyl]-6-methylpyrimidin-2-yl]acetamide
CID 158242267
N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 87426753
N-[4-[4-[2-methyl-4-(trifluoromethyl)phenoxy]butanoyl]-2-pyridinyl]cyclopropanecarboxamide
CID 160918694
2-(2-methylpropanoylamino)-N-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyridine-4-carboxamide
CID 142503801
N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67510384
N-[4-[(4R)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pentanoyl]-6-methyl-2-pyridinyl]acetamide
CID 159050031

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]butanoyl]-2-pyridinyl]-2-methylpropanamide?
The IUPAC name of N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]butanoyl]-2-pyridinyl]-2-methylpropanamide (CID 159112779) is N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]butanoyl]-2-pyridinyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]butanoyl]-2-pyridinyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]butanoyl]-2-pyridinyl]-2-methylpropanamide is CC(C)C(=O)Nc1cc(C(=O)CCCOc2ncc(C(F)(F)F)cc2Cl)ccn1.
What is the InChIKey of N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]butanoyl]-2-pyridinyl]-2-methylpropanamide?
The InChIKey is KERZNWLQOVNRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N3O3/c1-11(2)17(28)26-16-8-12(5-6-24-16)15(27)4-3-7-29-18-14(20)9-13(10-25-18)19(21,22)23/h5-6,8-11H,3-4,7H2,1-2H3,(H,24,26,28).
What are the key properties of N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]butanoyl]-2-pyridinyl]-2-methylpropanamide?
N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]butanoyl]-2-pyridinyl]-2-methylpropanamide has a molecular weight of 429.83 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]butanoyl]-2-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 159112779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).