3-[2-(diethylamino)-4-pyridinyl]-N-(2,4-dimethylphenyl)propanamide

C20H27N3O — CID 53186108

IUPAC3-[2-(diethylamino)-4-pyridinyl]-N-(2,4-dimethylphenyl)propanamide
SMILESCCN(CC)c1cc(CCC(=O)Nc2ccc(C)cc2C)ccn1
InChIInChI=1S/C20H27N3O/c1-5-23(6-2)19-14-17(11-12-21-19)8-10-20(24)22-18-9-7-15(3)13-16(18)4/h7,9,11-14H,5-6,8,10H2,1-4H3,(H,22,24)
InChIKeyFSTPYQUNMNBZCZ-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.12
Rot. Bonds7

About 3-[2-(diethylamino)-4-pyridinyl]-N-(2,4-dimethylphenyl)propanamide

3-[2-(diethylamino)-4-pyridinyl]-N-(2,4-dimethylphenyl)propanamide (PubChem CID 53186108) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 3-[2-(diethylamino)-4-pyridinyl]-N-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[2-(diethylamino)-4-pyridinyl]-N-(2,4-dimethylphenyl)propanamide
PubChem CID53186108
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name3-[2-(diethylamino)-4-pyridinyl]-N-(2,4-dimethylphenyl)propanamide
SMILESCCN(CC)c1cc(CCC(=O)Nc2ccc(C)cc2C)ccn1
InChIInChI=1S/C20H27N3O/c1-5-23(6-2)19-14-17(11-12-21-19)8-10-20(24)22-18-9-7-15(3)13-16(18)4/h7,9,11-14H,5-6,8,10H2,1-4H3,(H,22,24)
InChIKeyFSTPYQUNMNBZCZ-UHFFFAOYSA-N
XLogP4.12
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromophenyl)-N-(2,4-dimethylphenyl)propanamide
CID 43011240
4-(diethylamino)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
CID 109216518
2-(diethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 28447
N-(2,4-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide
CID 110857231
4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 5199281
N-[4-(diethylamino)-2-methylphenyl]-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109026280
3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 50944164
N-(2,4-dimethylphenyl)-4-methylpentanamide
CID 78775203
N-(2,4-dimethylphenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide
CID 110679261
N-(2,4-dimethylphenyl)-3-pyridin-2-ylsulfanylpropanamide
CID 23833046
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
N-(2,4-dimethylphenyl)-3-(propylamino)propanamide
CID 109011557

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)-4-pyridinyl]-N-(2,4-dimethylphenyl)propanamide?
The IUPAC name of 3-[2-(diethylamino)-4-pyridinyl]-N-(2,4-dimethylphenyl)propanamide (CID 53186108) is 3-[2-(diethylamino)-4-pyridinyl]-N-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[2-(diethylamino)-4-pyridinyl]-N-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for 3-[2-(diethylamino)-4-pyridinyl]-N-(2,4-dimethylphenyl)propanamide is CCN(CC)c1cc(CCC(=O)Nc2ccc(C)cc2C)ccn1.
What is the InChIKey of 3-[2-(diethylamino)-4-pyridinyl]-N-(2,4-dimethylphenyl)propanamide?
The InChIKey is FSTPYQUNMNBZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-5-23(6-2)19-14-17(11-12-21-19)8-10-20(24)22-18-9-7-15(3)13-16(18)4/h7,9,11-14H,5-6,8,10H2,1-4H3,(H,22,24).
What are the key properties of 3-[2-(diethylamino)-4-pyridinyl]-N-(2,4-dimethylphenyl)propanamide?
3-[2-(diethylamino)-4-pyridinyl]-N-(2,4-dimethylphenyl)propanamide has a molecular weight of 325.46 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)-4-pyridinyl]-N-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 53186108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).