2,5-dimethylpyridine;3-(3-formamidophenyl)-N-methylpropanamide

C18H23N3O2 — CID 143980464

IUPAC2,5-dimethylpyridine;3-(3-formamidophenyl)-N-methylpropanamide
SMILESCNC(=O)CCc1cccc(NC=O)c1.Cc1ccc(C)nc1
InChIInChI=1S/C11H14N2O2.C7H9N/c1-12-11(15)6-5-9-3-2-4-10(7-9)13-8-14;1-6-3-4-7(2)8-5-6/h2-4,7-8H,5-6H2,1H3,(H,12,15)(H,13,14);3-5H,1-2H3
InChIKeyCGGCSLXSSKVERG-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.63
Rot. Bonds5

About 2,5-dimethylpyridine;3-(3-formamidophenyl)-N-methylpropanamide

2,5-dimethylpyridine;3-(3-formamidophenyl)-N-methylpropanamide (PubChem CID 143980464) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2,5-dimethylpyridine;3-(3-formamidophenyl)-N-methylpropanamide.

Molecular Properties

Compound Name2,5-dimethylpyridine;3-(3-formamidophenyl)-N-methylpropanamide
PubChem CID143980464
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2,5-dimethylpyridine;3-(3-formamidophenyl)-N-methylpropanamide
SMILESCNC(=O)CCc1cccc(NC=O)c1.Cc1ccc(C)nc1
InChIInChI=1S/C11H14N2O2.C7H9N/c1-12-11(15)6-5-9-3-2-4-10(7-9)13-8-14;1-6-3-4-7(2)8-5-6/h2-4,7-8H,5-6H2,1H3,(H,12,15)(H,13,14);3-5H,1-2H3
InChIKeyCGGCSLXSSKVERG-UHFFFAOYSA-N
XLogP2.63
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-but-2-ynoxy-5-methylpyrazine;3-(3-formamidophenyl)-N-methylpropanamide
CID 143980458
N-methyl-3-(5-methyl-2-pyridinyl)propanamide
CID 15133713
3-(3-aminophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide
CID 62995351
3-(3-methoxyphenyl)-N-(6-methyl-3-pyridinyl)propanamide
CID 112532458
3-(3-cyanophenyl)-N-methylpropanamide
CID 118907091
3-(2-fluoro-5-formamidophenyl)-N-methylpropanamide
CID 143980499
N-[3-(2-pyridin-4-ylethyl)phenyl]formamide
CID 168653232
N-methyl-3-[(6-methyl-3-pyridinyl)methylamino]propanamide
CID 62996029
N-methyl-3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]propanamide
CID 74234598
N-methyl-3-(3-propan-2-ylphenyl)propanamide
CID 122496353
N-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)propanamide
CID 122301589
N-[(6-methyl-3-pyridinyl)methyl]-3-phenylpropanamide
CID 47038622

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylpyridine;3-(3-formamidophenyl)-N-methylpropanamide?
The IUPAC name of 2,5-dimethylpyridine;3-(3-formamidophenyl)-N-methylpropanamide (CID 143980464) is 2,5-dimethylpyridine;3-(3-formamidophenyl)-N-methylpropanamide.
What is the SMILES notation for 2,5-dimethylpyridine;3-(3-formamidophenyl)-N-methylpropanamide?
The canonical SMILES for 2,5-dimethylpyridine;3-(3-formamidophenyl)-N-methylpropanamide is CNC(=O)CCc1cccc(NC=O)c1.Cc1ccc(C)nc1.
What is the InChIKey of 2,5-dimethylpyridine;3-(3-formamidophenyl)-N-methylpropanamide?
The InChIKey is CGGCSLXSSKVERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2.C7H9N/c1-12-11(15)6-5-9-3-2-4-10(7-9)13-8-14;1-6-3-4-7(2)8-5-6/h2-4,7-8H,5-6H2,1H3,(H,12,15)(H,13,14);3-5H,1-2H3.
What are the key properties of 2,5-dimethylpyridine;3-(3-formamidophenyl)-N-methylpropanamide?
2,5-dimethylpyridine;3-(3-formamidophenyl)-N-methylpropanamide has a molecular weight of 313.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylpyridine;3-(3-formamidophenyl)-N-methylpropanamide is sourced from PubChem (CID 143980464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).