2-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide

C19H21N3O2 — CID 60530398

IUPAC2-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide
SMILESCc1ccc(C)c(Oc2ccc(CNC(=O)C(C)(C)C#N)cn2)c1
InChIInChI=1S/C19H21N3O2/c1-13-5-6-14(2)16(9-13)24-17-8-7-15(10-21-17)11-22-18(23)19(3,4)12-20/h5-10H,11H2,1-4H3,(H,22,23)
InChIKeyGDRPLJBJQHWWRJ-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.66
Rot. Bonds5

About 2-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide

2-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide (PubChem CID 60530398) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide
PubChem CID60530398
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide
SMILESCc1ccc(C)c(Oc2ccc(CNC(=O)C(C)(C)C#N)cn2)c1
InChIInChI=1S/C19H21N3O2/c1-13-5-6-14(2)16(9-13)24-17-8-7-15(10-21-17)11-22-18(23)19(3,4)12-20/h5-10H,11H2,1-4H3,(H,22,23)
InChIKeyGDRPLJBJQHWWRJ-UHFFFAOYSA-N
XLogP3.66
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide
CID 71922134
4-bromo-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
CID 55713360
(2R)-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 95233356
N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 46478525
N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 51123369
N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 154843635
(3S)-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 51950007
N-[2-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 55713590
4-(2-amino-2-oxoethoxy)-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-3,5-dimethoxybenzamide
CID 55713703
N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 55725072
N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56567362
N-[1-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 46478671

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide?
The IUPAC name of 2-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide (CID 60530398) is 2-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide.
What is the SMILES notation for 2-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide?
The canonical SMILES for 2-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide is Cc1ccc(C)c(Oc2ccc(CNC(=O)C(C)(C)C#N)cn2)c1.
What is the InChIKey of 2-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide?
The InChIKey is GDRPLJBJQHWWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-5-6-14(2)16(9-13)24-17-8-7-15(10-21-17)11-22-18(23)19(3,4)12-20/h5-10H,11H2,1-4H3,(H,22,23).
What are the key properties of 2-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide?
2-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide has a molecular weight of 323.40 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 60530398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).