N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-imidazol-1-ylpropanamide

C20H22N4O2 — CID 45171969

IUPACN-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-imidazol-1-ylpropanamide
SMILESCc1cccc(C)c1Oc1ncccc1CNC(=O)C(C)n1ccnc1
InChIInChI=1S/C20H22N4O2/c1-14-6-4-7-15(2)18(14)26-20-17(8-5-9-22-20)12-23-19(25)16(3)24-11-10-21-13-24/h4-11,13,16H,12H2,1-3H3,(H,23,25)
InChIKeyKQNNKRQHQOWLQL-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.56
Rot. Bonds6

About N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-imidazol-1-ylpropanamide

N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-imidazol-1-ylpropanamide (PubChem CID 45171969) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-imidazol-1-ylpropanamide
PubChem CID45171969
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-imidazol-1-ylpropanamide
SMILESCc1cccc(C)c1Oc1ncccc1CNC(=O)C(C)n1ccnc1
InChIInChI=1S/C20H22N4O2/c1-14-6-4-7-15(2)18(14)26-20-17(8-5-9-22-20)12-23-19(25)16(3)24-11-10-21-13-24/h4-11,13,16H,12H2,1-3H3,(H,23,25)
InChIKeyKQNNKRQHQOWLQL-UHFFFAOYSA-N
XLogP3.56
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-3-pyridin-3-ylpropanamide
CID 25288420
(2R)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide
CID 95197720
N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide
CID 56751942
N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-(furan-2-yl)-2-oxoacetamide
CID 56757543
4-chloro-N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-1-methylpyrazole-5-carboxamide
CID 56760516
N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 56741787
2-(2,6-dimethylphenoxy)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 37486076
(2R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 37247400
(2R)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94171586
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-imidazol-1-ylacetamide
CID 26412943
(2S)-2-(4-chloropyrazol-1-yl)-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propanamide
CID 95226722
1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-imidazol-1-ylpropan-2-yl)urea
CID 51082871

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-imidazol-1-ylpropanamide?
The IUPAC name of N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-imidazol-1-ylpropanamide (CID 45171969) is N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-imidazol-1-ylpropanamide.
What is the SMILES notation for N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-imidazol-1-ylpropanamide?
The canonical SMILES for N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-imidazol-1-ylpropanamide is Cc1cccc(C)c1Oc1ncccc1CNC(=O)C(C)n1ccnc1.
What is the InChIKey of N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-imidazol-1-ylpropanamide?
The InChIKey is KQNNKRQHQOWLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14-6-4-7-15(2)18(14)26-20-17(8-5-9-22-20)12-23-19(25)16(3)24-11-10-21-13-24/h4-11,13,16H,12H2,1-3H3,(H,23,25).
What are the key properties of N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-imidazol-1-ylpropanamide?
N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-imidazol-1-ylpropanamide has a molecular weight of 350.42 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-imidazol-1-ylpropanamide is sourced from PubChem (CID 45171969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).