N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C15H13Cl2F3N4O2 — CID 55723423

IUPACN-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NCCNc1ncc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2F3N4O2/c16-10-5-11(17)14(23-6-10)22-4-3-21-12(25)8-24-7-9(15(18,19)20)1-2-13(24)26/h1-2,5-7H,3-4,8H2,(H,21,25)(H,22,23)
InChIKeyZTCAOQKSZSHIKX-UHFFFAOYSA-N
MW409.20 g/mol
LogP2.80
Rot. Bonds6

About N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 55723423) has the molecular formula C15H13Cl2F3N4O2 and a molecular weight of 409.20 g/mol. Its IUPAC name is N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID55723423
Molecular FormulaC15H13Cl2F3N4O2
Molecular Weight409.20 g/mol
Exact Mass408.04
IUPAC NameN-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NCCNc1ncc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2F3N4O2/c16-10-5-11(17)14(23-6-10)22-4-3-21-12(25)8-24-7-9(15(18,19)20)1-2-13(24)26/h1-2,5-7H,3-4,8H2,(H,21,25)(H,22,23)
InChIKeyZTCAOQKSZSHIKX-UHFFFAOYSA-N
XLogP2.80
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.20
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
CID 47028663
N-butyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 4826239
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 32642852
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87020440
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 47046001
2-aminooxy-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide;hydrochloride
CID 18526045
N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 24504795
tert-butyl N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]carbamate
CID 115697235
2-chloro-N-[2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-2-oxoethyl]benzamide
CID 27888885
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(1,2-thiazol-3-yloxy)acetamide
CID 154769744
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 55904816
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid
CID 702585

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 55723423) is N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cc(C(F)(F)F)ccc1=O)NCCNc1ncc(Cl)cc1Cl.
What is the InChIKey of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is ZTCAOQKSZSHIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2F3N4O2/c16-10-5-11(17)14(23-6-10)22-4-3-21-12(25)8-24-7-9(15(18,19)20)1-2-13(24)26/h1-2,5-7H,3-4,8H2,(H,21,25)(H,22,23).
What are the key properties of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 409.20 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 55723423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).