6-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyridine-3-carboxamide

C17H17ClF3N3O — CID 109160757

IUPAC6-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(Nc2cc(C(F)(F)F)ccc2Cl)nc1
InChIInChI=1S/C17H17ClF3N3O/c1-3-24(4-2)16(25)11-5-8-15(22-10-11)23-14-9-12(17(19,20)21)6-7-13(14)18/h5-10H,3-4H2,1-2H3,(H,22,23)
InChIKeyMDNXQASTAIBHII-UHFFFAOYSA-N
MW371.79 g/mol
LogP4.98
Rot. Bonds5

About 6-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyridine-3-carboxamide

6-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyridine-3-carboxamide (PubChem CID 109160757) has the molecular formula C17H17ClF3N3O and a molecular weight of 371.79 g/mol. Its IUPAC name is 6-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyridine-3-carboxamide
PubChem CID109160757
Molecular FormulaC17H17ClF3N3O
Molecular Weight371.79 g/mol
Exact Mass371.10
IUPAC Name6-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(Nc2cc(C(F)(F)F)ccc2Cl)nc1
InChIInChI=1S/C17H17ClF3N3O/c1-3-24(4-2)16(25)11-5-8-15(22-10-11)23-14-9-12(17(19,20)21)6-7-13(14)18/h5-10H,3-4H2,1-2H3,(H,22,23)
InChIKeyMDNXQASTAIBHII-UHFFFAOYSA-N
XLogP4.98
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.79
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyrimidine-5-carboxamide
CID 109262415
N-butan-2-yl-6-[2-chloro-5-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109152093
ethyl N-[6-[2-chloro-5-(trifluoromethyl)anilino]-3-pyridinyl]carbamate
CID 113020838
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]propanamide
CID 113035471
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]butanamide
CID 113035472
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
CID 113035470
3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N,N-diethylbenzamide
CID 26583597
N,N-dipropyl-6-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109161899
5-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine
CID 112958387
6-[4-(diethylamino)anilino]-N,N-diethylpyridine-3-carboxamide
CID 109160758
6-[2-chloro-5-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid
CID 60791798
N-benzyl-6-(3-chloro-4-fluoroanilino)-N-ethylpyridine-3-carboxamide
CID 109157624

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyridine-3-carboxamide?
The IUPAC name of 6-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyridine-3-carboxamide (CID 109160757) is 6-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyridine-3-carboxamide?
The canonical SMILES for 6-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyridine-3-carboxamide is CCN(CC)C(=O)c1ccc(Nc2cc(C(F)(F)F)ccc2Cl)nc1.
What is the InChIKey of 6-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyridine-3-carboxamide?
The InChIKey is MDNXQASTAIBHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N3O/c1-3-24(4-2)16(25)11-5-8-15(22-10-11)23-14-9-12(17(19,20)21)6-7-13(14)18/h5-10H,3-4H2,1-2H3,(H,22,23).
What are the key properties of 6-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyridine-3-carboxamide?
6-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyridine-3-carboxamide has a molecular weight of 371.79 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyridine-3-carboxamide is sourced from PubChem (CID 109160757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).