2-[(6-methoxy-3-pyridinyl)amino]-N-(2,3,4-trifluorophenyl)propanamide

C15H14F3N3O2 — CID 51113240

IUPAC2-[(6-methoxy-3-pyridinyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
SMILESCOc1ccc(NC(C)C(=O)Nc2ccc(F)c(F)c2F)cn1
InChIInChI=1S/C15H14F3N3O2/c1-8(20-9-3-6-12(23-2)19-7-9)15(22)21-11-5-4-10(16)13(17)14(11)18/h3-8,20H,1-2H3,(H,21,22)
InChIKeyPBVMQLAHZOJFGA-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.95
Rot. Bonds5

About 2-[(6-methoxy-3-pyridinyl)amino]-N-(2,3,4-trifluorophenyl)propanamide

2-[(6-methoxy-3-pyridinyl)amino]-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 51113240) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 2-[(6-methoxy-3-pyridinyl)amino]-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name2-[(6-methoxy-3-pyridinyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID51113240
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC Name2-[(6-methoxy-3-pyridinyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
SMILESCOc1ccc(NC(C)C(=O)Nc2ccc(F)c(F)c2F)cn1
InChIInChI=1S/C15H14F3N3O2/c1-8(20-9-3-6-12(23-2)19-7-9)15(22)21-11-5-4-10(16)13(17)14(11)18/h3-8,20H,1-2H3,(H,21,22)
InChIKeyPBVMQLAHZOJFGA-UHFFFAOYSA-N
XLogP2.95
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 7928461
(2S)-N-(2,5-dichlorophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 25343912
2-(3,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 78670468
2-(4-chloroanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 4968842
(2R)-N-(2,4-dibromophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 37309340
(2S)-2-[(6-methoxy-3-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 37309361
6-methoxy-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 84581357
(2R)-N-(3,5-dimethoxyphenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 25345790
(2R)-2-(5-acetamido-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 2474098
2-methoxy-N-(2,3,4-trifluorophenyl)propanamide
CID 112685527
2-(1,3-benzodioxol-5-ylamino)-N-(2,3,4-trifluorophenyl)propanamide
CID 4780583
2-[(6-methoxy-3-pyridinyl)amino]-N-(propan-2-ylcarbamoyl)propanamide
CID 47023248

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-3-pyridinyl)amino]-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of 2-[(6-methoxy-3-pyridinyl)amino]-N-(2,3,4-trifluorophenyl)propanamide (CID 51113240) is 2-[(6-methoxy-3-pyridinyl)amino]-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for 2-[(6-methoxy-3-pyridinyl)amino]-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for 2-[(6-methoxy-3-pyridinyl)amino]-N-(2,3,4-trifluorophenyl)propanamide is COc1ccc(NC(C)C(=O)Nc2ccc(F)c(F)c2F)cn1.
What is the InChIKey of 2-[(6-methoxy-3-pyridinyl)amino]-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is PBVMQLAHZOJFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c1-8(20-9-3-6-12(23-2)19-7-9)15(22)21-11-5-4-10(16)13(17)14(11)18/h3-8,20H,1-2H3,(H,21,22).
What are the key properties of 2-[(6-methoxy-3-pyridinyl)amino]-N-(2,3,4-trifluorophenyl)propanamide?
2-[(6-methoxy-3-pyridinyl)amino]-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 325.29 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-3-pyridinyl)amino]-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 51113240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).