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

C24H24ClN3O2 — CID 167616132

IUPACN-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]-3-chlorophenyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(N)nc3)c(Cl)c2)cc1
InChIInChI=1S/C24H24ClN3O2/c1-3-24(30)28(2)19-9-6-17(7-10-19)18-8-11-20(21(25)14-18)22(29)12-4-16-5-13-23(26)27-15-16/h5-11,13-15H,3-4,12H2,1-2H3,(H2,26,27)
InChIKeyIOFASSFIRIDBDB-UHFFFAOYSA-N
MW421.93 g/mol
LogP5.17
Rot. Bonds7

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

N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]-3-chlorophenyl]phenyl]-N-methylpropanamide (PubChem CID 167616132) has the molecular formula C24H24ClN3O2 and a molecular weight of 421.93 g/mol. Its IUPAC name is N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]-3-chlorophenyl]phenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]-3-chlorophenyl]phenyl]-N-methylpropanamide
PubChem CID167616132
Molecular FormulaC24H24ClN3O2
Molecular Weight421.93 g/mol
Exact Mass421.16
IUPAC NameN-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]-3-chlorophenyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(N)nc3)c(Cl)c2)cc1
InChIInChI=1S/C24H24ClN3O2/c1-3-24(30)28(2)19-9-6-17(7-10-19)18-8-11-20(21(25)14-18)22(29)12-4-16-5-13-23(26)27-15-16/h5-11,13-15H,3-4,12H2,1-2H3,(H2,26,27)
InChIKeyIOFASSFIRIDBDB-UHFFFAOYSA-N
XLogP5.17
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.93
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide
CID 167653829
N-[4-[6-[3-(6-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-3-fluorophenyl]-N-methylpropanamide
CID 167571065
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-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
N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]-3-hydroxyphenyl]-2-fluorophenyl]-N-methylpropanamide
CID 167711956
N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-ethylpropanamide
CID 167655500
N-[2-chloro-4-[6-[3-(6-fluoro-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide
CID 167638558
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
N-[2-fluoro-4-[3-hydroxy-4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
CID 167660370
N-[4-[3-[3-(6-amino-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-[4-[3-[3-(6-chloro-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-[4-[3-[3-(6-methoxy-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-N-methylpropanamide;N-methyl-N-[4-[3-[3-(6-methyl-3-pyridinyl)propanoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]propanamide
CID 167670703
N-(6-amino-3-pyridinyl)-N-methylbutanamide
CID 115268400

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]-3-chlorophenyl]phenyl]-N-methylpropanamide?
The IUPAC name of N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]-3-chlorophenyl]phenyl]-N-methylpropanamide (CID 167616132) is N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]-3-chlorophenyl]phenyl]-N-methylpropanamide.
What is the SMILES notation for N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]-3-chlorophenyl]phenyl]-N-methylpropanamide?
The canonical SMILES for N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]-3-chlorophenyl]phenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(N)nc3)c(Cl)c2)cc1.
What is the InChIKey of N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]-3-chlorophenyl]phenyl]-N-methylpropanamide?
The InChIKey is IOFASSFIRIDBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O2/c1-3-24(30)28(2)19-9-6-17(7-10-19)18-8-11-20(21(25)14-18)22(29)12-4-16-5-13-23(26)27-15-16/h5-11,13-15H,3-4,12H2,1-2H3,(H2,26,27).
What are the key properties of N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]-3-chlorophenyl]phenyl]-N-methylpropanamide?
N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]-3-chlorophenyl]phenyl]-N-methylpropanamide has a molecular weight of 421.93 g/mol, XLogP of 5.17, 7 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]-3-chlorophenyl]phenyl]-N-methylpropanamide is sourced from PubChem (CID 167616132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).