N-cyclobutyl-N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide

C28H29FN2O2 — CID 167703477

IUPACN-cyclobutyl-N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide
SMILESCCC(=O)N(c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3)cc2)cc1F)C1CCC1
InChIInChI=1S/C28H29FN2O2/c1-3-28(33)31(24-5-4-6-24)26-15-14-23(17-25(26)29)21-10-12-22(13-11-21)27(32)16-9-20-8-7-19(2)30-18-20/h7-8,10-15,17-18,24H,3-6,9,16H2,1-2H3
InChIKeyHQODGWCAJKSNFT-UHFFFAOYSA-N
MW444.55 g/mol
LogP6.31
Rot. Bonds8

About N-cyclobutyl-N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide

N-cyclobutyl-N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide (PubChem CID 167703477) has the molecular formula C28H29FN2O2 and a molecular weight of 444.55 g/mol. Its IUPAC name is N-cyclobutyl-N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide.

Molecular Properties

Compound NameN-cyclobutyl-N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide
PubChem CID167703477
Molecular FormulaC28H29FN2O2
Molecular Weight444.55 g/mol
Exact Mass444.22
IUPAC NameN-cyclobutyl-N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide
SMILESCCC(=O)N(c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3)cc2)cc1F)C1CCC1
InChIInChI=1S/C28H29FN2O2/c1-3-28(33)31(24-5-4-6-24)26-15-14-23(17-25(26)29)21-10-12-22(13-11-21)27(32)16-9-20-8-7-19(2)30-18-20/h7-8,10-15,17-18,24H,3-6,9,16H2,1-2H3
InChIKeyHQODGWCAJKSNFT-UHFFFAOYSA-N
XLogP6.31
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.55
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-fluoro-4-[3-hydroxy-4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
CID 167660370
N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-ethylpropanamide
CID 167655500
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
3-(6-amino-3-pyridinyl)-1-[4-[4-[(1-ethylcyclopropyl)-methylamino]-3-fluorophenyl]phenyl]propan-1-one
CID 167569534
N-[2-hydroxy-4-[4-(3-pyridin-3-ylpropanoyl)phenyl]phenyl]-N-methylpropanamide
CID 167635364
N-[4-[4-[3-(2-amino-3-pyridinyl)propanoyl]-2-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]-2-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]-2-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[2-methyl-4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
CID 167663575
N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]-3-methoxyphenyl]-2-fluorophenyl]-N-methylpropanamide
CID 167542746
N-[4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-2-hydroxyphenyl]phenyl]-N-methylpropanamide
CID 167543424
3-(2-chloro-3-pyridinyl)-1-[4-[3-fluoro-4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one
CID 167616697
N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-(2-methoxyethyl)propanamide
CID 167554100
N-methyl-N-[2-[4-(3-pyridin-3-ylpropanoyl)phenyl]pyrimidin-5-yl]propanamide
CID 167542434
N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide
CID 167667597

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide?
The IUPAC name of N-cyclobutyl-N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide (CID 167703477) is N-cyclobutyl-N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide.
What is the SMILES notation for N-cyclobutyl-N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide?
The canonical SMILES for N-cyclobutyl-N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide is CCC(=O)N(c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3)cc2)cc1F)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide?
The InChIKey is HQODGWCAJKSNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN2O2/c1-3-28(33)31(24-5-4-6-24)26-15-14-23(17-25(26)29)21-10-12-22(13-11-21)27(32)16-9-20-8-7-19(2)30-18-20/h7-8,10-15,17-18,24H,3-6,9,16H2,1-2H3.
What are the key properties of N-cyclobutyl-N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide?
N-cyclobutyl-N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide has a molecular weight of 444.55 g/mol, XLogP of 6.31, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide is sourced from PubChem (CID 167703477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).