4-(cycloheptylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C20H22F3N3O — CID 109217173

IUPAC4-(cycloheptylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cc(NC2CCCCCC2)ccn1
InChIInChI=1S/C20H22F3N3O/c21-20(22,23)14-7-9-16(10-8-14)26-19(27)18-13-17(11-12-24-18)25-15-5-3-1-2-4-6-15/h7-13,15H,1-6H2,(H,24,25)(H,26,27)
InChIKeyULKNGGYZWOONRF-UHFFFAOYSA-N
MW377.41 g/mol
LogP5.49
Rot. Bonds4

About 4-(cycloheptylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide

4-(cycloheptylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 109217173) has the molecular formula C20H22F3N3O and a molecular weight of 377.41 g/mol. Its IUPAC name is 4-(cycloheptylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(cycloheptylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID109217173
Molecular FormulaC20H22F3N3O
Molecular Weight377.41 g/mol
Exact Mass377.17
IUPAC Name4-(cycloheptylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cc(NC2CCCCCC2)ccn1
InChIInChI=1S/C20H22F3N3O/c21-20(22,23)14-7-9-16(10-8-14)26-19(27)18-13-17(11-12-24-18)25-15-5-3-1-2-4-6-15/h7-13,15H,1-6H2,(H,24,25)(H,26,27)
InChIKeyULKNGGYZWOONRF-UHFFFAOYSA-N
XLogP5.49
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.41
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-4-(cycloheptylamino)pyridine-2-carboxamide
CID 109217159
4-(cyclohexylamino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 109205065
2-N-cyclohexyl-4-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109081616
4-(cyclohexylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109205031
4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109204680
N-cyclopropyl-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109201821
4-(cyclopropylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109201983
4-(propylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109201247
N-(2-chlorophenyl)-4-(cyclohexylamino)pyridine-2-carboxamide
CID 109204995
N-(3-acetylphenyl)-4-(cyclopentylamino)pyridine-2-carboxamide
CID 109204307
4-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109204356
4-(cycloheptylamino)-N-ethylpyridine-2-carboxamide
CID 43517906

Frequently Asked Questions

What is the IUPAC name of 4-(cycloheptylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-(cycloheptylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 109217173) is 4-(cycloheptylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(cycloheptylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(cycloheptylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(NC2CCCCCC2)ccn1.
What is the InChIKey of 4-(cycloheptylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is ULKNGGYZWOONRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O/c21-20(22,23)14-7-9-16(10-8-14)26-19(27)18-13-17(11-12-24-18)25-15-5-3-1-2-4-6-15/h7-13,15H,1-6H2,(H,24,25)(H,26,27).
What are the key properties of 4-(cycloheptylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
4-(cycloheptylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 377.41 g/mol, XLogP of 5.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cycloheptylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 109217173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).