N-[4-chloro-2-(trifluoromethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide

C17H18ClF3N4O — CID 109153836

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
SMILESCN(C)CCNc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cn1
InChIInChI=1S/C17H18ClF3N4O/c1-25(2)8-7-22-15-6-3-11(10-23-15)16(26)24-14-5-4-12(18)9-13(14)17(19,20)21/h3-6,9-10H,7-8H2,1-2H3,(H,22,23)(H,24,26)
InChIKeyIZYVDJQOECOKNN-UHFFFAOYSA-N
MW386.81 g/mol
LogP3.98
Rot. Bonds6

About N-[4-chloro-2-(trifluoromethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide (PubChem CID 109153836) has the molecular formula C17H18ClF3N4O and a molecular weight of 386.81 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
PubChem CID109153836
Molecular FormulaC17H18ClF3N4O
Molecular Weight386.81 g/mol
Exact Mass386.11
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
SMILESCN(C)CCNc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cn1
InChIInChI=1S/C17H18ClF3N4O/c1-25(2)8-7-22-15-6-3-11(10-23-15)16(26)24-14-5-4-12(18)9-13(14)17(19,20)21/h3-6,9-10H,7-8H2,1-2H3,(H,22,23)(H,24,26)
InChIKeyIZYVDJQOECOKNN-UHFFFAOYSA-N
XLogP3.98
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dichlorophenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
CID 109153838
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(3-methylbutylamino)pyridine-3-carboxamide
CID 109161212
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(cyclopropylamino)pyridine-3-carboxamide
CID 109151376
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(diethylamino)pyridine-3-carboxamide
CID 109160729
6-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151940
6-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109153720
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 836769
N-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]pyridine-4-carboxamide
CID 109167896
4-chloro-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]benzamide
CID 113039930
N-(5-chloro-2-methylphenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 62184893
4-tert-butyl-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide
CID 113010730
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272317

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide (CID 109153836) is N-[4-chloro-2-(trifluoromethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide is CN(C)CCNc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cn1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide?
The InChIKey is IZYVDJQOECOKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF3N4O/c1-25(2)8-7-22-15-6-3-11(10-23-15)16(26)24-14-5-4-12(18)9-13(14)17(19,20)21/h3-6,9-10H,7-8H2,1-2H3,(H,22,23)(H,24,26).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide has a molecular weight of 386.81 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109153836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).