N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-3-pyridin-3-ylpropanamide

C22H23N3O2 — CID 25288420

IUPACN-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-3-pyridin-3-ylpropanamide
SMILESCc1cccc(C)c1Oc1ncccc1CNC(=O)CCc1cccnc1
InChIInChI=1S/C22H23N3O2/c1-16-6-3-7-17(2)21(16)27-22-19(9-5-13-24-22)15-25-20(26)11-10-18-8-4-12-23-14-18/h3-9,12-14H,10-11,15H2,1-2H3,(H,25,26)
InChIKeyKYLGEBLWHFMMPG-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.13
Rot. Bonds7

About N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-3-pyridin-3-ylpropanamide

N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-3-pyridin-3-ylpropanamide (PubChem CID 25288420) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-3-pyridin-3-ylpropanamide
PubChem CID25288420
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-3-pyridin-3-ylpropanamide
SMILESCc1cccc(C)c1Oc1ncccc1CNC(=O)CCc1cccnc1
InChIInChI=1S/C22H23N3O2/c1-16-6-3-7-17(2)21(16)27-22-19(9-5-13-24-22)15-25-20(26)11-10-18-8-4-12-23-14-18/h3-9,12-14H,10-11,15H2,1-2H3,(H,25,26)
InChIKeyKYLGEBLWHFMMPG-UHFFFAOYSA-N
XLogP4.13
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-3-pyridin-3-ylpropanamide
CID 42520255
N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)propanamide
CID 42291769
2-(2,6-dimethylphenoxy)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 37486076
N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-imidazol-1-ylpropanamide
CID 45171969
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-pyridin-3-ylpropanamide
CID 48735080
N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-(furan-2-yl)-2-oxoacetamide
CID 56757543
N-[(2-methyl-4-pyridinyl)methyl]-3-pyridin-3-ylpropanamide
CID 131936779
N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 56741787
N-[(2-methylphenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide
CID 109019088
4-chloro-N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-1-methylpyrazole-5-carboxamide
CID 56760516
3-(3-fluorophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]propanamide
CID 60589527
N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-1-pyridin-3-ylmethanamine
CID 42198890

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-3-pyridin-3-ylpropanamide (CID 25288420) is N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-3-pyridin-3-ylpropanamide is Cc1cccc(C)c1Oc1ncccc1CNC(=O)CCc1cccnc1.
What is the InChIKey of N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-3-pyridin-3-ylpropanamide?
The InChIKey is KYLGEBLWHFMMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16-6-3-7-17(2)21(16)27-22-19(9-5-13-24-22)15-25-20(26)11-10-18-8-4-12-23-14-18/h3-9,12-14H,10-11,15H2,1-2H3,(H,25,26).
What are the key properties of N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-3-pyridin-3-ylpropanamide?
N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-3-pyridin-3-ylpropanamide has a molecular weight of 361.45 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 25288420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).