N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide

C18H15ClF3N3O2 — CID 109080480

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cc(C(=O)N2CCCC2)ccn1
InChIInChI=1S/C18H15ClF3N3O2/c19-12-3-4-14(13(10-12)18(20,21)22)24-16(26)15-9-11(5-6-23-15)17(27)25-7-1-2-8-25/h3-6,9-10H,1-2,7-8H2,(H,24,26)
InChIKeyCKYTXQJLITUHKQ-UHFFFAOYSA-N
MW397.78 g/mol
LogP4.24
Rot. Bonds3

About N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 109080480) has the molecular formula C18H15ClF3N3O2 and a molecular weight of 397.78 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
PubChem CID109080480
Molecular FormulaC18H15ClF3N3O2
Molecular Weight397.78 g/mol
Exact Mass397.08
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cc(C(=O)N2CCCC2)ccn1
InChIInChI=1S/C18H15ClF3N3O2/c19-12-3-4-14(13(10-12)18(20,21)22)24-16(26)15-9-11(5-6-23-15)17(27)25-7-1-2-8-25/h3-6,9-10H,1-2,7-8H2,(H,24,26)
InChIKeyCKYTXQJLITUHKQ-UHFFFAOYSA-N
XLogP4.24
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.78
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080420
N-(2,4-dichlorophenyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082935
2-(azepane-1-carbonyl)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide
CID 109090794
[5-[4-chloro-2-(trifluoromethyl)anilino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273671
N-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080395
N-(2,6-difluorophenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081186
N-(2,6-dichlorophenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081176
4-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
CID 109090713
N-(4-chloro-2-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109090311
N-phenyl-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081096
methyl 4-chloro-3-[[4-(pyrrolidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109080454
2-(azepane-1-carbonyl)-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 109090752

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide (CID 109080480) is N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide is O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cc(C(=O)N2CCCC2)ccn1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is CKYTXQJLITUHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3N3O2/c19-12-3-4-14(13(10-12)18(20,21)22)24-16(26)15-9-11(5-6-23-15)17(27)25-7-1-2-8-25/h3-6,9-10H,1-2,7-8H2,(H,24,26).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 397.78 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109080480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).