5-ethoxy-N-[(1R)-1-[4-[(4-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]ethyl]pyridine-3-carboxamide

C28H30FN3O2 — CID 177196991

IUPAC5-ethoxy-N-[(1R)-1-[4-[(4-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]ethyl]pyridine-3-carboxamide
SMILESCCOc1cncc(C(=O)N[C@H](C)c2ccc(C(=C3CCNCC3)c3ccc(F)cc3)cc2)c1
InChIInChI=1S/C28H30FN3O2/c1-3-34-26-16-24(17-31-18-26)28(33)32-19(2)20-4-6-21(7-5-20)27(23-12-14-30-15-13-23)22-8-10-25(29)11-9-22/h4-11,16-19,30H,3,12-15H2,1-2H3,(H,32,33)/t19-/m1/s1
InChIKeyWFGFQFCVZJBKLR-LJQANCHMSA-N
MW459.57 g/mol
LogP5.30
Rot. Bonds7

About 5-ethoxy-N-[(1R)-1-[4-[(4-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]ethyl]pyridine-3-carboxamide

5-ethoxy-N-[(1R)-1-[4-[(4-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]ethyl]pyridine-3-carboxamide (PubChem CID 177196991) has the molecular formula C28H30FN3O2 and a molecular weight of 459.57 g/mol. Its IUPAC name is 5-ethoxy-N-[(1R)-1-[4-[(4-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-ethoxy-N-[(1R)-1-[4-[(4-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]ethyl]pyridine-3-carboxamide
PubChem CID177196991
Molecular FormulaC28H30FN3O2
Molecular Weight459.57 g/mol
Exact Mass459.23
IUPAC Name5-ethoxy-N-[(1R)-1-[4-[(4-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]ethyl]pyridine-3-carboxamide
SMILESCCOc1cncc(C(=O)N[C@H](C)c2ccc(C(=C3CCNCC3)c3ccc(F)cc3)cc2)c1
InChIInChI=1S/C28H30FN3O2/c1-3-34-26-16-24(17-31-18-26)28(33)32-19(2)20-4-6-21(7-5-20)27(23-12-14-30-15-13-23)22-8-10-25(29)11-9-22/h4-11,16-19,30H,3,12-15H2,1-2H3,(H,32,33)/t19-/m1/s1
InChIKeyWFGFQFCVZJBKLR-LJQANCHMSA-N
XLogP5.30
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.57
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-ethoxy-N-[(1R)-1-[4-[(4-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]ethyl]pyridine-3-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

5-(1-chloro-3-hydroxypropan-2-yl)oxy-N-[(1R)-1-[4-[(4-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]ethyl]pyridine-3-carboxamide
CID 177196323
N-[(1R)-1-[4-[(4-fluorophenyl)-(1-methylpiperidin-4-ylidene)methyl]phenyl]ethyl]-5-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 177196387
5-bromo-N-[1-(4-ethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 51292691
N-[(1R)-1-[4-[2-azaspiro[3.3]heptan-6-ylidene-(4-fluorophenyl)methyl]phenyl]ethyl]-5-spiro[3.3]heptan-2-yloxypyridine-3-carboxamide
CID 177196803
5-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 2449849
3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 42990102
3,4,5-triethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 7696716
N-[(1R)-1-[4-[(2-methyl-2-azaspiro[3.3]heptan-6-ylidene)-(4-methylphenyl)methyl]phenyl]ethyl]-5-(oxetan-3-ylmethoxy)pyridine-3-carboxamide
CID 177196458
N-[(1R)-1-[4-[(4-methylphenyl)-(1-methylpiperidin-4-ylidene)methyl]phenyl]ethyl]-5-(oxan-4-yloxy)pyridine-3-carboxamide
CID 177196998
3-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(2-isoquinolin-3-yl-1H-imidazol-5-yl)benzamide
CID 24876690
5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 113339663
3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40637184

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-[(1R)-1-[4-[(4-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-ethoxy-N-[(1R)-1-[4-[(4-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]ethyl]pyridine-3-carboxamide (CID 177196991) is 5-ethoxy-N-[(1R)-1-[4-[(4-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-ethoxy-N-[(1R)-1-[4-[(4-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-ethoxy-N-[(1R)-1-[4-[(4-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]ethyl]pyridine-3-carboxamide is CCOc1cncc(C(=O)N[C@H](C)c2ccc(C(=C3CCNCC3)c3ccc(F)cc3)cc2)c1.
What is the InChIKey of 5-ethoxy-N-[(1R)-1-[4-[(4-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]ethyl]pyridine-3-carboxamide?
The InChIKey is WFGFQFCVZJBKLR-LJQANCHMSA-N. The full InChI is InChI=1S/C28H30FN3O2/c1-3-34-26-16-24(17-31-18-26)28(33)32-19(2)20-4-6-21(7-5-20)27(23-12-14-30-15-13-23)22-8-10-25(29)11-9-22/h4-11,16-19,30H,3,12-15H2,1-2H3,(H,32,33)/t19-/m1/s1.
What are the key properties of 5-ethoxy-N-[(1R)-1-[4-[(4-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]ethyl]pyridine-3-carboxamide?
5-ethoxy-N-[(1R)-1-[4-[(4-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]ethyl]pyridine-3-carboxamide has a molecular weight of 459.57 g/mol, XLogP of 5.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-[(1R)-1-[4-[(4-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 177196991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).