N-cycloheptyl-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide

C21H26FN3O — CID 109158626

IUPACN-cycloheptyl-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc(NCCc2ccc(F)cc2)nc1
InChIInChI=1S/C21H26FN3O/c22-18-10-7-16(8-11-18)13-14-23-20-12-9-17(15-24-20)21(26)25-19-5-3-1-2-4-6-19/h7-12,15,19H,1-6,13-14H2,(H,23,24)(H,25,26)
InChIKeyVLLNCURZHPTDEJ-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.33
Rot. Bonds6

About N-cycloheptyl-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide

N-cycloheptyl-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide (PubChem CID 109158626) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is N-cycloheptyl-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide
PubChem CID109158626
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC NameN-cycloheptyl-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc(NCCc2ccc(F)cc2)nc1
InChIInChI=1S/C21H26FN3O/c22-18-10-7-16(8-11-18)13-14-23-20-12-9-17(15-24-20)21(26)25-19-5-3-1-2-4-6-19/h7-12,15,19H,1-6,13-14H2,(H,23,24)(H,25,26)
InChIKeyVLLNCURZHPTDEJ-UHFFFAOYSA-N
XLogP4.33
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 1447863
N-cyclohexyl-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109274670
N-cyclopentyl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109112300
N-cyclohexyl-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109182937
N-cyclooctyl-6-(ethylamino)pyridine-3-carboxamide
CID 62171358
N-cycloheptyl-6-(pentylamino)pyridine-3-carboxamide
CID 109161059
6-[2-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956160
6-(cyclohexylamino)-N-cyclopropylpyridine-3-carboxamide
CID 25473351
N-cycloheptyl-6-(4-fluorophenyl)pyridine-3-carboxamide
CID 53111052
N-cyclobutyl-6-(ethylamino)pyridine-3-carboxamide
CID 62415039
N-cyclooctyl-6-hydrazinylpyridine-3-carboxamide
CID 62237790
ethyl 6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxylate
CID 30059064

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide?
The IUPAC name of N-cycloheptyl-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide (CID 109158626) is N-cycloheptyl-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide is O=C(NC1CCCCCC1)c1ccc(NCCc2ccc(F)cc2)nc1.
What is the InChIKey of N-cycloheptyl-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide?
The InChIKey is VLLNCURZHPTDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c22-18-10-7-16(8-11-18)13-14-23-20-12-9-17(15-24-20)21(26)25-19-5-3-1-2-4-6-19/h7-12,15,19H,1-6,13-14H2,(H,23,24)(H,25,26).
What are the key properties of N-cycloheptyl-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide?
N-cycloheptyl-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109158626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).