2-[4-[(4-ethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(2-fluorophenyl)pyridine-4-carboxamide

C26H27FN4O3 — CID 46360822

IUPAC2-[4-[(4-ethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(2-fluorophenyl)pyridine-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCN(c3cc(C(=O)Nc4ccccc4F)ccn3)CC2)cc1
InChIInChI=1S/C26H27FN4O3/c1-2-34-21-9-7-20(8-10-21)29-25(32)18-12-15-31(16-13-18)24-17-19(11-14-28-24)26(33)30-23-6-4-3-5-22(23)27/h3-11,14,17-18H,2,12-13,15-16H2,1H3,(H,29,32)(H,30,33)
InChIKeyKINFLCWTKJISBL-UHFFFAOYSA-N
MW462.53 g/mol
LogP4.73
Rot. Bonds7

About 2-[4-[(4-ethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(2-fluorophenyl)pyridine-4-carboxamide

2-[4-[(4-ethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(2-fluorophenyl)pyridine-4-carboxamide (PubChem CID 46360822) has the molecular formula C26H27FN4O3 and a molecular weight of 462.53 g/mol. Its IUPAC name is 2-[4-[(4-ethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(2-fluorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(4-ethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(2-fluorophenyl)pyridine-4-carboxamide
PubChem CID46360822
Molecular FormulaC26H27FN4O3
Molecular Weight462.53 g/mol
Exact Mass462.21
IUPAC Name2-[4-[(4-ethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(2-fluorophenyl)pyridine-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCN(c3cc(C(=O)Nc4ccccc4F)ccn3)CC2)cc1
InChIInChI=1S/C26H27FN4O3/c1-2-34-21-9-7-20(8-10-21)29-25(32)18-12-15-31(16-13-18)24-17-19(11-14-28-24)26(33)30-23-6-4-3-5-22(23)27/h3-11,14,17-18H,2,12-13,15-16H2,1H3,(H,29,32)(H,30,33)
InChIKeyKINFLCWTKJISBL-UHFFFAOYSA-N
XLogP4.73
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(4-ethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(2-fluorophenyl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 46360654
N-(2-fluorophenyl)-2-[4-[(2-methoxy-5-methylphenyl)carbamoyl]piperidin-1-yl]pyridine-4-carboxamide
CID 46360832
N-(2-fluorophenyl)-2-[4-[(4-fluorophenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide
CID 46360827
2-[4-[(2-ethylphenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 46360651
N-(4-ethoxyphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53078059
1-N-(4-ethoxyphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049866
N-(4-ethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514077
N-(4-ethoxyphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520297
2-[4-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 46360787
2-[4-[(3,4-dimethylphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 46360796
N-(4-ethoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-4-carboxamide
CID 46367968
N-(4-ethoxyphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070628

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-ethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(2-fluorophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-[4-[(4-ethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(2-fluorophenyl)pyridine-4-carboxamide (CID 46360822) is 2-[4-[(4-ethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(2-fluorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[4-[(4-ethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(2-fluorophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[4-[(4-ethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(2-fluorophenyl)pyridine-4-carboxamide is CCOc1ccc(NC(=O)C2CCN(c3cc(C(=O)Nc4ccccc4F)ccn3)CC2)cc1.
What is the InChIKey of 2-[4-[(4-ethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(2-fluorophenyl)pyridine-4-carboxamide?
The InChIKey is KINFLCWTKJISBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O3/c1-2-34-21-9-7-20(8-10-21)29-25(32)18-12-15-31(16-13-18)24-17-19(11-14-28-24)26(33)30-23-6-4-3-5-22(23)27/h3-11,14,17-18H,2,12-13,15-16H2,1H3,(H,29,32)(H,30,33).
What are the key properties of 2-[4-[(4-ethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(2-fluorophenyl)pyridine-4-carboxamide?
2-[4-[(4-ethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(2-fluorophenyl)pyridine-4-carboxamide has a molecular weight of 462.53 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-ethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(2-fluorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 46360822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).