5-N-cycloheptyl-3-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide

C20H22FN3O2 — CID 109107049

IUPAC5-N-cycloheptyl-3-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide
SMILESO=C(Nc1ccccc1F)c1cncc(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C20H22FN3O2/c21-17-9-5-6-10-18(17)24-20(26)15-11-14(12-22-13-15)19(25)23-16-7-3-1-2-4-8-16/h5-6,9-13,16H,1-4,7-8H2,(H,23,25)(H,24,26)
InChIKeyYYBVYEVOECYTBW-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.93
Rot. Bonds4

About 5-N-cycloheptyl-3-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide

5-N-cycloheptyl-3-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide (PubChem CID 109107049) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 5-N-cycloheptyl-3-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-cycloheptyl-3-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide
PubChem CID109107049
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name5-N-cycloheptyl-3-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide
SMILESO=C(Nc1ccccc1F)c1cncc(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C20H22FN3O2/c21-17-9-5-6-10-18(17)24-20(26)15-11-14(12-22-13-15)19(25)23-16-7-3-1-2-4-8-16/h5-6,9-13,16H,1-4,7-8H2,(H,23,25)(H,24,26)
InChIKeyYYBVYEVOECYTBW-UHFFFAOYSA-N
XLogP3.93
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-cyclohexyl-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
CID 109044796
N-cyclopentyl-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109225985
5-N-cyclohexyl-3-N-phenylpyridine-3,5-dicarboxamide
CID 109103063
3-N-cyclopentyl-5-N-cyclopropylpyridine-3,5-dicarboxamide
CID 109101527
3-N-(4-chloro-2-methylphenyl)-5-N-cyclohexylpyridine-3,5-dicarboxamide
CID 109103094
5-N-cyclopropyl-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109101623
N-cycloheptyl-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233439
3-N-cyclopentyl-1-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
CID 109051946
5-N-cyclohexyl-3-N-(2,6-diethylphenyl)pyridine-3,5-dicarboxamide
CID 109103083
3-N-(3-chlorophenyl)-5-N-cyclohexylpyridine-3,5-dicarboxamide
CID 109103090
3-N-butyl-5-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide
CID 109102018
5-N-(2-fluorophenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106222

Frequently Asked Questions

What is the IUPAC name of 5-N-cycloheptyl-3-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-cycloheptyl-3-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide (CID 109107049) is 5-N-cycloheptyl-3-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-cycloheptyl-3-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-cycloheptyl-3-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide is O=C(Nc1ccccc1F)c1cncc(C(=O)NC2CCCCCC2)c1.
What is the InChIKey of 5-N-cycloheptyl-3-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide?
The InChIKey is YYBVYEVOECYTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c21-17-9-5-6-10-18(17)24-20(26)15-11-14(12-22-13-15)19(25)23-16-7-3-1-2-4-8-16/h5-6,9-13,16H,1-4,7-8H2,(H,23,25)(H,24,26).
What are the key properties of 5-N-cycloheptyl-3-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide?
5-N-cycloheptyl-3-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide has a molecular weight of 355.41 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cycloheptyl-3-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109107049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).