N-cycloheptyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide

C19H20F3N3O — CID 109195345

IUPACN-cycloheptyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc(Nc2ccc(F)c(F)c2F)cn1
InChIInChI=1S/C19H20F3N3O/c20-14-8-10-15(18(22)17(14)21)24-13-7-9-16(23-11-13)19(26)25-12-5-3-1-2-4-6-12/h7-12,24H,1-6H2,(H,25,26)
InChIKeyFPAMWTJTBXLJGP-UHFFFAOYSA-N
MW363.38 g/mol
LogP4.70
Rot. Bonds4

About N-cycloheptyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide

N-cycloheptyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide (PubChem CID 109195345) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is N-cycloheptyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
PubChem CID109195345
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC NameN-cycloheptyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc(Nc2ccc(F)c(F)c2F)cn1
InChIInChI=1S/C19H20F3N3O/c20-14-8-10-15(18(22)17(14)21)24-13-7-9-16(23-11-13)19(26)25-12-5-3-1-2-4-6-12/h7-12,24H,1-6H2,(H,25,26)
InChIKeyFPAMWTJTBXLJGP-UHFFFAOYSA-N
XLogP4.70
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-(cyclohexylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109183232
N-(2,6-difluorophenyl)-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109200969
N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109197490
N-cycloheptyl-5-(4-methylanilino)pyridine-2-carboxamide
CID 109195297
pyrrolidin-1-yl-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone
CID 109181962
N-cyclopentyl-5-(2-methylanilino)pyridine-2-carboxamide
CID 109182241
N-cyclopentyl-5-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109182289
5-(cyclohexylamino)-N-cyclopropylpyridine-2-carboxamide
CID 109179840
5-(4-acetamidoanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109183029
N-cyclohexyl-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109182937
5-(4-cyanoanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109183058
N-cycloheptyl-5-(pentylamino)pyridine-2-carboxamide
CID 109195288

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide?
The IUPAC name of N-cycloheptyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide (CID 109195345) is N-cycloheptyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide?
The canonical SMILES for N-cycloheptyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide is O=C(NC1CCCCCC1)c1ccc(Nc2ccc(F)c(F)c2F)cn1.
What is the InChIKey of N-cycloheptyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide?
The InChIKey is FPAMWTJTBXLJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O/c20-14-8-10-15(18(22)17(14)21)24-13-7-9-16(23-11-13)19(26)25-12-5-3-1-2-4-6-12/h7-12,24H,1-6H2,(H,25,26).
What are the key properties of N-cycloheptyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide?
N-cycloheptyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109195345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).