2-(4-chlorophenoxy)-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide

C18H11ClF3N3O2 — CID 2814314

IUPAC2-(4-chlorophenoxy)-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cn1)c1cccnc1Oc1ccc(Cl)cc1
InChIInChI=1S/C18H11ClF3N3O2/c19-12-4-6-13(7-5-12)27-17-14(2-1-9-23-17)16(26)25-15-8-3-11(10-24-15)18(20,21)22/h1-10H,(H,24,25,26)
InChIKeyJSWVCVXVXXIQKL-UHFFFAOYSA-N
MW393.75 g/mol
LogP5.19
Rot. Bonds4

About 2-(4-chlorophenoxy)-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide

2-(4-chlorophenoxy)-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 2814314) has the molecular formula C18H11ClF3N3O2 and a molecular weight of 393.75 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide
PubChem CID2814314
Molecular FormulaC18H11ClF3N3O2
Molecular Weight393.75 g/mol
Exact Mass393.05
IUPAC Name2-(4-chlorophenoxy)-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cn1)c1cccnc1Oc1ccc(Cl)cc1
InChIInChI=1S/C18H11ClF3N3O2/c19-12-4-6-13(7-5-12)27-17-14(2-1-9-23-17)16(26)25-15-8-3-11(10-24-15)18(20,21)22/h1-10H,(H,24,25,26)
InChIKeyJSWVCVXVXXIQKL-UHFFFAOYSA-N
XLogP5.19
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.75
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 175967809
2-(4-chlorophenoxy)pyridine-3-carboxylic acid
CID 609454
(2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 141423376
2-(4-chlorophenoxy)pyridine-3-carboxamide
CID 2774902
N-(2,4-dichlorophenyl)-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 612195
N-(4-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 15614422
2-ethoxy-N'-[5-(trifluoromethyl)-2-pyridinyl]pyridine-3-carbohydrazide
CID 2417273
2-(4-chlorophenoxy)-N-[5-(4-chlorophenyl)thiophen-3-yl]pyridine-3-carboxamide
CID 2814785
4-(3-methoxy-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59672591
2-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide
CID 99819940
S-(4-chlorophenyl) 2-phenoxypyridine-3-carbothioate
CID 2797684
2-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide
CID 113034912

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide (CID 2814314) is 2-(4-chlorophenoxy)-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide is O=C(Nc1ccc(C(F)(F)F)cn1)c1cccnc1Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is JSWVCVXVXXIQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3N3O2/c19-12-4-6-13(7-5-12)27-17-14(2-1-9-23-17)16(26)25-15-8-3-11(10-24-15)18(20,21)22/h1-10H,(H,24,25,26).
What are the key properties of 2-(4-chlorophenoxy)-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide?
2-(4-chlorophenoxy)-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 393.75 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 2814314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).