N-methyl-N-[[4-[5-[3-(2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]methyl]propanamide

C25H27N3O2 — CID 167602726

IUPACN-methyl-N-[[4-[5-[3-(2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]methyl]propanamide
SMILESCCC(=O)N(C)Cc1ccc(-c2ccc(C(=O)CCc3cccnc3C)cn2)cc1
InChIInChI=1S/C25H27N3O2/c1-4-25(30)28(3)17-19-7-9-21(10-8-19)23-13-11-22(16-27-23)24(29)14-12-20-6-5-15-26-18(20)2/h5-11,13,15-16H,4,12,14,17H2,1-3H3
InChIKeySTFYTNVDAXEFQO-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.64
Rot. Bonds8

About N-methyl-N-[[4-[5-[3-(2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]methyl]propanamide

N-methyl-N-[[4-[5-[3-(2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]methyl]propanamide (PubChem CID 167602726) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-methyl-N-[[4-[5-[3-(2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]methyl]propanamide.

Molecular Properties

Compound NameN-methyl-N-[[4-[5-[3-(2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]methyl]propanamide
PubChem CID167602726
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN-methyl-N-[[4-[5-[3-(2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]methyl]propanamide
SMILESCCC(=O)N(C)Cc1ccc(-c2ccc(C(=O)CCc3cccnc3C)cn2)cc1
InChIInChI=1S/C25H27N3O2/c1-4-25(30)28(3)17-19-7-9-21(10-8-19)23-13-11-22(16-27-23)24(29)14-12-20-6-5-15-26-18(20)2/h5-11,13,15-16H,4,12,14,17H2,1-3H3
InChIKeySTFYTNVDAXEFQO-UHFFFAOYSA-N
XLogP4.64
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[[4-[6-[3-(2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]methyl]propanamide
CID 167700140
N-[[4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]methyl]-N-methylpropanamide
CID 167607738
N-[[3-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]methyl]-N-methylpropanamide
CID 167561732
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-[4-[2-hydroxy-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
CID 167711632
N-[4-[5-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[3-(2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide
CID 167662284
N-[[3-fluoro-4-[6-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]methyl]-N-methylpropanamide
CID 167682759
N-[3-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167602133
N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]phenyl]-2,3-difluorophenyl]-N-methylpropanamide
CID 167556265
N-[2,3-difluoro-4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
CID 167556264
N-[3-chloro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167531654
3-(2-methyl-3-pyridinyl)propanoic acid;hydrochloride
CID 134129731

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-[5-[3-(2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]methyl]propanamide?
The IUPAC name of N-methyl-N-[[4-[5-[3-(2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]methyl]propanamide (CID 167602726) is N-methyl-N-[[4-[5-[3-(2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]methyl]propanamide.
What is the SMILES notation for N-methyl-N-[[4-[5-[3-(2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]methyl]propanamide?
The canonical SMILES for N-methyl-N-[[4-[5-[3-(2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]methyl]propanamide is CCC(=O)N(C)Cc1ccc(-c2ccc(C(=O)CCc3cccnc3C)cn2)cc1.
What is the InChIKey of N-methyl-N-[[4-[5-[3-(2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]methyl]propanamide?
The InChIKey is STFYTNVDAXEFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-4-25(30)28(3)17-19-7-9-21(10-8-19)23-13-11-22(16-27-23)24(29)14-12-20-6-5-15-26-18(20)2/h5-11,13,15-16H,4,12,14,17H2,1-3H3.
What are the key properties of N-methyl-N-[[4-[5-[3-(2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]methyl]propanamide?
N-methyl-N-[[4-[5-[3-(2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]methyl]propanamide has a molecular weight of 401.51 g/mol, XLogP of 4.64, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-[5-[3-(2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]methyl]propanamide is sourced from PubChem (CID 167602726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).