N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyridine-2-carboxamide

C18H17ClF3N3O — CID 109182511

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(NC2CCCC2)cn1
InChIInChI=1S/C18H17ClF3N3O/c19-15-7-5-12(9-14(15)18(20,21)22)25-17(26)16-8-6-13(10-23-16)24-11-3-1-2-4-11/h5-11,24H,1-4H2,(H,25,26)
InChIKeyXSOVOMIHEWQQLI-UHFFFAOYSA-N
MW383.80 g/mol
LogP5.36
Rot. Bonds4

About N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyridine-2-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyridine-2-carboxamide (PubChem CID 109182511) has the molecular formula C18H17ClF3N3O and a molecular weight of 383.80 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyridine-2-carboxamide
PubChem CID109182511
Molecular FormulaC18H17ClF3N3O
Molecular Weight383.80 g/mol
Exact Mass383.10
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(NC2CCCC2)cn1
InChIInChI=1S/C18H17ClF3N3O/c19-15-7-5-12(9-14(15)18(20,21)22)25-17(26)16-8-6-13(10-23-16)24-11-3-1-2-4-11/h5-11,24H,1-4H2,(H,25,26)
InChIKeyXSOVOMIHEWQQLI-UHFFFAOYSA-N
XLogP5.36
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.80
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cyclohexylamino)-N-(3,4-dichlorophenyl)pyridine-2-carboxamide
CID 109183218
5-(cyclohexylamino)-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 109183205
5-(cyclopentylamino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109182436
N-(4-tert-butylphenyl)-5-(cyclopentylamino)pyridine-2-carboxamide
CID 109182449
5-(cyclohexylamino)-N-phenylpyridine-2-carboxamide
CID 109183141
5-(cyclohexylamino)-N-cyclopropylpyridine-2-carboxamide
CID 109179840
N-(3-acetamidophenyl)-5-(cyclopropylamino)pyridine-2-carboxamide
CID 109180174
N-(2-chlorophenyl)-5-(cyclopentylamino)pyridine-2-carboxamide
CID 109182452
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-cyclohexyloxamide
CID 108504354
2-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078576
5-(cyclopropylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109180137
N-(1,3-benzodioxol-5-yl)-5-(cyclopropylamino)pyridine-2-carboxamide
CID 109180197

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyridine-2-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyridine-2-carboxamide (CID 109182511) is N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyridine-2-carboxamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(NC2CCCC2)cn1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyridine-2-carboxamide?
The InChIKey is XSOVOMIHEWQQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3N3O/c19-15-7-5-12(9-14(15)18(20,21)22)25-17(26)16-8-6-13(10-23-16)24-11-3-1-2-4-11/h5-11,24H,1-4H2,(H,25,26).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyridine-2-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyridine-2-carboxamide has a molecular weight of 383.80 g/mol, XLogP of 5.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109182511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).