N-[2-(cyclohexen-1-yl)ethyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide

C21H22F3N3O — CID 109227465

IUPACN-[2-(cyclohexen-1-yl)ethyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1cncc(Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C21H22F3N3O/c22-21(23,24)18-8-4-5-9-19(18)27-17-12-16(13-25-14-17)20(28)26-11-10-15-6-2-1-3-7-15/h4-6,8-9,12-14,27H,1-3,7,10-11H2,(H,26,28)
InChIKeyDLGUPHDUKAJTFB-UHFFFAOYSA-N
MW389.42 g/mol
LogP5.46
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide (PubChem CID 109227465) has the molecular formula C21H22F3N3O and a molecular weight of 389.42 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
PubChem CID109227465
Molecular FormulaC21H22F3N3O
Molecular Weight389.42 g/mol
Exact Mass389.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1cncc(Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C21H22F3N3O/c22-21(23,24)18-8-4-5-9-19(18)27-17-12-16(13-25-14-17)20(28)26-11-10-15-6-2-1-3-7-15/h4-6,8-9,12-14,27H,1-3,7,10-11H2,(H,26,28)
InChIKeyDLGUPHDUKAJTFB-UHFFFAOYSA-N
XLogP5.46
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.42
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109235856
N-[2-(cyclohexen-1-yl)ethyl]-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223365
3-N,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109103293
N-[2-(cyclohexen-1-yl)ethyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109227375
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109299566
N-[2-(cyclohexen-1-yl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109227459
N-(2-morpholin-4-ylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109229551
N-[(2-fluorophenyl)methyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109233370
N-[2-(cyclohexen-1-yl)ethyl]-5-(pentylamino)pyridine-3-carboxamide
CID 109227417
5-N-(2-cyanophenyl)-3-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109103382
N-(2-methylpropyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109224865
N-[2-(cyclohexen-1-yl)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
CID 109227480

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide (CID 109227465) is N-[2-(cyclohexen-1-yl)ethyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide is O=C(NCCC1=CCCCC1)c1cncc(Nc2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The InChIKey is DLGUPHDUKAJTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O/c22-21(23,24)18-8-4-5-9-19(18)27-17-12-16(13-25-14-17)20(28)26-11-10-15-6-2-1-3-7-15/h4-6,8-9,12-14,27H,1-3,7,10-11H2,(H,26,28).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 5.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 109227465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).