N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-ethylpropanamide

C25H26FN3O2 — CID 167655500

IUPACN-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-ethylpropanamide
SMILESCCC(=O)N(CC)c1ccc(-c2ccc(C(=O)CCc3ccc(N)nc3)cc2)cc1F
InChIInChI=1S/C25H26FN3O2/c1-3-25(31)29(4-2)22-12-11-20(15-21(22)26)18-7-9-19(10-8-18)23(30)13-5-17-6-14-24(27)28-16-17/h6-12,14-16H,3-5,13H2,1-2H3,(H2,27,28)
InChIKeyRTOYYBWNUXIKRF-UHFFFAOYSA-N
MW419.50 g/mol
LogP5.05
Rot. Bonds8

About N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-ethylpropanamide

N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-ethylpropanamide (PubChem CID 167655500) has the molecular formula C25H26FN3O2 and a molecular weight of 419.50 g/mol. Its IUPAC name is N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-ethylpropanamide.

Molecular Properties

Compound NameN-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-ethylpropanamide
PubChem CID167655500
Molecular FormulaC25H26FN3O2
Molecular Weight419.50 g/mol
Exact Mass419.20
IUPAC NameN-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-ethylpropanamide
SMILESCCC(=O)N(CC)c1ccc(-c2ccc(C(=O)CCc3ccc(N)nc3)cc2)cc1F
InChIInChI=1S/C25H26FN3O2/c1-3-25(31)29(4-2)22-12-11-20(15-21(22)26)18-7-9-19(10-8-18)23(30)13-5-17-6-14-24(27)28-16-17/h6-12,14-16H,3-5,13H2,1-2H3,(H2,27,28)
InChIKeyRTOYYBWNUXIKRF-UHFFFAOYSA-N
XLogP5.05
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.50
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-amino-3-pyridinyl)-1-[4-[4-[(1-ethylcyclopropyl)-methylamino]-3-fluorophenyl]phenyl]propan-1-one
CID 167569534
N-cyclobutyl-N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide
CID 167703477
N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-ethylpropanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide
CID 167631163
N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]-3-chlorophenyl]phenyl]-N-methylpropanamide
CID 167616132
N-[4-[6-[3-(6-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-3-fluorophenyl]-N-methylpropanamide
CID 167571065
N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-(2-methoxyethyl)propanamide
CID 167554100
N-[2-fluoro-4-[3-hydroxy-4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
CID 167660370
N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]-3-hydroxyphenyl]-2-fluorophenyl]-N-methylpropanamide
CID 167711956
4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-N-ethyl-N-methylbenzamide;4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-N-ethyl-N-methylbenzamide;N-ethyl-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;N-ethyl-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide
CID 167655548
3-(6-chloro-3-pyridinyl)-1-[4-[3-fluoro-4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one;N-[4-[4-[2-(2,6-difluoro-3-pyridinyl)ethylsulfonimidoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide;1-[4-[3-fluoro-4-[methyl(propyl)amino]phenyl]phenyl]-3-(6-fluoro-3-pyridinyl)propan-1-one;5-[3-[4-[4-[methyl(propyl)amino]phenyl]phenyl]but-3-enyl]pyridin-2-amine
CID 167618681
N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]piperazin-1-yl]-2-fluorophenyl]-N-methylpropanamide
CID 167695846
N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]-3-methoxyphenyl]-2-fluorophenyl]-N-methylpropanamide
CID 167542746

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-ethylpropanamide?
The IUPAC name of N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-ethylpropanamide (CID 167655500) is N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-ethylpropanamide.
What is the SMILES notation for N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-ethylpropanamide?
The canonical SMILES for N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-ethylpropanamide is CCC(=O)N(CC)c1ccc(-c2ccc(C(=O)CCc3ccc(N)nc3)cc2)cc1F.
What is the InChIKey of N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-ethylpropanamide?
The InChIKey is RTOYYBWNUXIKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O2/c1-3-25(31)29(4-2)22-12-11-20(15-21(22)26)18-7-9-19(10-8-18)23(30)13-5-17-6-14-24(27)28-16-17/h6-12,14-16H,3-5,13H2,1-2H3,(H2,27,28).
What are the key properties of N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-ethylpropanamide?
N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-ethylpropanamide has a molecular weight of 419.50 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-ethylpropanamide is sourced from PubChem (CID 167655500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).