N-[4-[6-[3-(6-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-3-fluorophenyl]-N-methylpropanamide

C23H23FN4O2 — CID 167571065

IUPACN-[4-[6-[3-(6-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-3-fluorophenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(N)nc3)nc2)c(F)c1
InChIInChI=1S/C23H23FN4O2/c1-3-23(30)28(2)17-7-8-18(19(24)12-17)16-6-9-20(26-14-16)21(29)10-4-15-5-11-22(25)27-13-15/h5-9,11-14H,3-4,10H2,1-2H3,(H2,25,27)
InChIKeyGALWCZBTYNHNSR-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.05
Rot. Bonds7

About N-[4-[6-[3-(6-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-3-fluorophenyl]-N-methylpropanamide

N-[4-[6-[3-(6-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-3-fluorophenyl]-N-methylpropanamide (PubChem CID 167571065) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[4-[6-[3-(6-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-3-fluorophenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[4-[6-[3-(6-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-3-fluorophenyl]-N-methylpropanamide
PubChem CID167571065
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC NameN-[4-[6-[3-(6-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-3-fluorophenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(N)nc3)nc2)c(F)c1
InChIInChI=1S/C23H23FN4O2/c1-3-23(30)28(2)17-7-8-18(19(24)12-17)16-6-9-20(26-14-16)21(29)10-4-15-5-11-22(25)27-13-15/h5-9,11-14H,3-4,10H2,1-2H3,(H2,25,27)
InChIKeyGALWCZBTYNHNSR-UHFFFAOYSA-N
XLogP4.05
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]-3-chlorophenyl]phenyl]-N-methylpropanamide
CID 167616132
N-[3-fluoro-4-[6-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide
CID 167654047
N-[4-[6-[3-(2-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-3-chlorophenyl]-N-methylpropanamide
CID 167574706
N-[4-[6-[3-(6-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-2-fluoro-3-methylphenyl]-N-methylpropanamide;N-[4-[6-[3-(6-chloro-3-pyridinyl)propanoyl]-3-pyridinyl]-2-fluoro-3-methylphenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[3-(2-fluoro-3-pyridinyl)propanoyl]-3-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[2-fluoro-3-methyl-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide
CID 167586057
N-[2-chloro-4-[6-[3-(6-fluoro-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide
CID 167638558
N-[4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-2-hydroxyphenyl]phenyl]-N-methylpropanamide
CID 167543424
N-[3-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167701388
N-[4-[3-[3-(6-amino-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide
CID 167670705
N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]piperazin-1-yl]-2-fluorophenyl]-N-methylpropanamide
CID 167695846
N-[3-chloro-4-[6-[3-(2-chloro-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide
CID 167574705
N-[[3-fluoro-4-[6-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]methyl]-N-methylpropanamide
CID 167682759
N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-ethylpropanamide
CID 167655500

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[3-(6-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-3-fluorophenyl]-N-methylpropanamide?
The IUPAC name of N-[4-[6-[3-(6-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-3-fluorophenyl]-N-methylpropanamide (CID 167571065) is N-[4-[6-[3-(6-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-3-fluorophenyl]-N-methylpropanamide.
What is the SMILES notation for N-[4-[6-[3-(6-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-3-fluorophenyl]-N-methylpropanamide?
The canonical SMILES for N-[4-[6-[3-(6-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-3-fluorophenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(N)nc3)nc2)c(F)c1.
What is the InChIKey of N-[4-[6-[3-(6-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-3-fluorophenyl]-N-methylpropanamide?
The InChIKey is GALWCZBTYNHNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-3-23(30)28(2)17-7-8-18(19(24)12-17)16-6-9-20(26-14-16)21(29)10-4-15-5-11-22(25)27-13-15/h5-9,11-14H,3-4,10H2,1-2H3,(H2,25,27).
What are the key properties of N-[4-[6-[3-(6-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-3-fluorophenyl]-N-methylpropanamide?
N-[4-[6-[3-(6-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-3-fluorophenyl]-N-methylpropanamide has a molecular weight of 406.46 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[3-(6-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-3-fluorophenyl]-N-methylpropanamide is sourced from PubChem (CID 167571065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).