N-[4-[5-[3-(2-amino-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide

C73H77FN10O7 — CID 167646445

IUPACN-[4-[5-[3-(2-amino-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3F)cn2)c(C)c1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3N)cn2)c(C)c1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3OC)cn2)c(C)c1
InChIInChI=1S/C25H27N3O3.C24H24FN3O2.C24H26N4O2/c1-5-24(30)28(3)20-10-11-21(17(2)15-20)22-12-8-19(16-27-22)23(29)13-9-18-7-6-14-26-25(18)31-4;2*1-4-23(30)28(3)19-9-10-20(16(2)14-19)21-11-7-18(15-27-21)22(29)12-8-17-6-5-13-26-24(17)25/h6-8,10-12,14-16H,5,9,13H2,1-4H3;5-7,9-11,13-15H,4,8,12H2,1-3H3;5-7,9-11,13-15H,4,8,12H2,1-3H3,(H2,25,26)
InChIKeyPYBBBFPXQFOBAH-UHFFFAOYSA-N
MW1225.48 g/mol
LogP13.65
Rot. Bonds22

About N-[4-[5-[3-(2-amino-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide

N-[4-[5-[3-(2-amino-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide (PubChem CID 167646445) has the molecular formula C73H77FN10O7 and a molecular weight of 1225.48 g/mol. Its IUPAC name is N-[4-[5-[3-(2-amino-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[4-[5-[3-(2-amino-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide
PubChem CID167646445
Molecular FormulaC73H77FN10O7
Molecular Weight1225.48 g/mol
Exact Mass1224.60
IUPAC NameN-[4-[5-[3-(2-amino-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3F)cn2)c(C)c1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3N)cn2)c(C)c1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3OC)cn2)c(C)c1
InChIInChI=1S/C25H27N3O3.C24H24FN3O2.C24H26N4O2/c1-5-24(30)28(3)20-10-11-21(17(2)15-20)22-12-8-19(16-27-22)23(29)13-9-18-7-6-14-26-25(18)31-4;2*1-4-23(30)28(3)19-9-10-20(16(2)14-19)21-11-7-18(15-27-21)22(29)12-8-17-6-5-13-26-24(17)25/h6-8,10-12,14-16H,5,9,13H2,1-4H3;5-7,9-11,13-15H,4,8,12H2,1-3H3;5-7,9-11,13-15H,4,8,12H2,1-3H3,(H2,25,26)
InChIKeyPYBBBFPXQFOBAH-UHFFFAOYSA-N
XLogP13.65
TPSA224.73 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds22
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001225.48
LogP ≤ 513.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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-methyl-N-[3-methyl-4-[5-(2-pyridin-4-ylacetyl)-2-pyridinyl]phenyl]propanamide
CID 167605649
N-[4-[5-[3-(2-amino-3-pyridinyl)propanoyl]-2-pyridinyl]-2-chlorophenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-chloro-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167688608
N-[3-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167602133
N-[3-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167701388
N-[3-chloro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167531654
N-[4-[6-[3-(2-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-3-chlorophenyl]-N-methylpropanamide
CID 167574706
N-[4-[4-[2-(2-amino-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[2-(2-chloro-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[2-(2-fluoro-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[4-[2-(2-methoxy-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]-N-methylpropanamide;N-methyl-N-[4-[4-[2-(6-methyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]propanamide
CID 167661719
N-[4-[4-[3-(2-amino-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide;N-methyl-N-[4-[4-[3-(2-methyl-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]propanamide
CID 167587623
N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-methylphenyl]phenyl]-N-methylpropanamide
CID 167595216
N-[2,3-difluoro-4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
CID 167556264
N-[3-fluoro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167538672

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[3-(2-amino-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide?
The IUPAC name of N-[4-[5-[3-(2-amino-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide (CID 167646445) is N-[4-[5-[3-(2-amino-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide.
What is the SMILES notation for N-[4-[5-[3-(2-amino-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide?
The canonical SMILES for N-[4-[5-[3-(2-amino-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3F)cn2)c(C)c1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3N)cn2)c(C)c1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3OC)cn2)c(C)c1.
What is the InChIKey of N-[4-[5-[3-(2-amino-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide?
The InChIKey is PYBBBFPXQFOBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3.C24H24FN3O2.C24H26N4O2/c1-5-24(30)28(3)20-10-11-21(17(2)15-20)22-12-8-19(16-27-22)23(29)13-9-18-7-6-14-26-25(18)31-4;2*1-4-23(30)28(3)19-9-10-20(16(2)14-19)21-11-7-18(15-27-21)22(29)12-8-17-6-5-13-26-24(17)25/h6-8,10-12,14-16H,5,9,13H2,1-4H3;5-7,9-11,13-15H,4,8,12H2,1-3H3;5-7,9-11,13-15H,4,8,12H2,1-3H3,(H2,25,26).
What are the key properties of N-[4-[5-[3-(2-amino-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide?
N-[4-[5-[3-(2-amino-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide has a molecular weight of 1225.48 g/mol, XLogP of 13.65, 22 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[3-(2-amino-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide is sourced from PubChem (CID 167646445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).