N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)pyridine-3-carboxamide

C15H13ClF3N3O — CID 110299286

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)pyridine-3-carboxamide
SMILESCN(C)c1ncccc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H13ClF3N3O/c1-22(2)13-10(4-3-7-20-13)14(23)21-12-8-9(15(17,18)19)5-6-11(12)16/h3-8H,1-2H3,(H,21,23)
InChIKeyZWMAAMPCOCVUJI-UHFFFAOYSA-N
MW343.74 g/mol
LogP4.07
Rot. Bonds3

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)pyridine-3-carboxamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)pyridine-3-carboxamide (PubChem CID 110299286) has the molecular formula C15H13ClF3N3O and a molecular weight of 343.74 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)pyridine-3-carboxamide
PubChem CID110299286
Molecular FormulaC15H13ClF3N3O
Molecular Weight343.74 g/mol
Exact Mass343.07
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)pyridine-3-carboxamide
SMILESCN(C)c1ncccc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H13ClF3N3O/c1-22(2)13-10(4-3-7-20-13)14(23)21-12-8-9(15(17,18)19)5-6-11(12)16/h3-8H,1-2H3,(H,21,23)
InChIKeyZWMAAMPCOCVUJI-UHFFFAOYSA-N
XLogP4.07
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.74
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dichlorophenyl)-2-(dimethylamino)pyridine-3-carboxamide
CID 38887368
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxybenzamide
CID 871827
3-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 66464004
N-(3-chloro-4-fluorophenyl)-2-(dimethylamino)pyridine-3-carboxamide
CID 38898502
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110682635
2-(dimethylamino)-N-(4-hydroxy-2-methylphenyl)pyridine-3-carboxamide
CID 110475171
4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 132587573
2-(dimethylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 38885784
2-(dimethylamino)-N-phenylpyridine-3-carboxamide
CID 38885522
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(diethylamino)pyridine-4-carboxamide
CID 109174779
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide
CID 17173190
(2R)-2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 2396545

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)pyridine-3-carboxamide (CID 110299286) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)pyridine-3-carboxamide is CN(C)c1ncccc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)pyridine-3-carboxamide?
The InChIKey is ZWMAAMPCOCVUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N3O/c1-22(2)13-10(4-3-7-20-13)14(23)21-12-8-9(15(17,18)19)5-6-11(12)16/h3-8H,1-2H3,(H,21,23).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)pyridine-3-carboxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)pyridine-3-carboxamide has a molecular weight of 343.74 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 110299286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).