N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-3-carboxamide

C17H17ClF3N3O — CID 109238984

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-3-carboxamide
SMILESCCN(CC)c1cncc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C17H17ClF3N3O/c1-3-24(4-2)13-7-11(9-22-10-13)16(25)23-12-5-6-15(18)14(8-12)17(19,20)21/h5-10H,3-4H2,1-2H3,(H,23,25)
InChIKeyNRSLOPZZIAJQRL-UHFFFAOYSA-N
MW371.79 g/mol
LogP4.85
Rot. Bonds5

About N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-3-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-3-carboxamide (PubChem CID 109238984) has the molecular formula C17H17ClF3N3O and a molecular weight of 371.79 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-3-carboxamide
PubChem CID109238984
Molecular FormulaC17H17ClF3N3O
Molecular Weight371.79 g/mol
Exact Mass371.10
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-3-carboxamide
SMILESCCN(CC)c1cncc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C17H17ClF3N3O/c1-3-24(4-2)13-7-11(9-22-10-13)16(25)23-12-5-6-15(18)14(8-12)17(19,20)21/h5-10H,3-4H2,1-2H3,(H,23,25)
InChIKeyNRSLOPZZIAJQRL-UHFFFAOYSA-N
XLogP4.85
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 ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(diethylamino)pyrimidine-5-carboxamide
CID 109262564
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-3-carboxamide
CID 109238959
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224318
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226611
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethylpyrazole-4-carboxamide
CID 35295297
5-(diethylamino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109238900
5-[4-chloro-3-(trifluoromethyl)anilino]-N-propylpyridine-3-carboxamide
CID 109222936
5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 109234873
ethyl 4-[[5-(diethylamino)pyridine-3-carbonyl]amino]benzoate
CID 109238980
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-difluorobenzamide
CID 2084506
5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109239451
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-ethylthiophene-2-carboxamide
CID 4219949

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-3-carboxamide (CID 109238984) is N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-3-carboxamide is CCN(CC)c1cncc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-3-carboxamide?
The InChIKey is NRSLOPZZIAJQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N3O/c1-3-24(4-2)13-7-11(9-22-10-13)16(25)23-12-5-6-15(18)14(8-12)17(19,20)21/h5-10H,3-4H2,1-2H3,(H,23,25).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-3-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-3-carboxamide has a molecular weight of 371.79 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109238984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).