3-[acetyl(pyridin-3-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide

C19H24N4O2 — CID 113120489

IUPAC3-[acetyl(pyridin-3-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(N(C)C)cc1)Cc1cccnc1
InChIInChI=1S/C19H24N4O2/c1-15(24)23(14-16-5-4-11-20-13-16)12-10-19(25)21-17-6-8-18(9-7-17)22(2)3/h4-9,11,13H,10,12,14H2,1-3H3,(H,21,25)
InChIKeyAOPZVTJMSWIWEY-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.52
Rot. Bonds7

About 3-[acetyl(pyridin-3-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide

3-[acetyl(pyridin-3-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide (PubChem CID 113120489) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-[acetyl(pyridin-3-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-[acetyl(pyridin-3-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide
PubChem CID113120489
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name3-[acetyl(pyridin-3-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(N(C)C)cc1)Cc1cccnc1
InChIInChI=1S/C19H24N4O2/c1-15(24)23(14-16-5-4-11-20-13-16)12-10-19(25)21-17-6-8-18(9-7-17)22(2)3/h4-9,11,13H,10,12,14H2,1-3H3,(H,21,25)
InChIKeyAOPZVTJMSWIWEY-UHFFFAOYSA-N
XLogP2.52
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113120459
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-[4-(dimethylamino)phenyl]propanamide
CID 113118858
3-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-methoxyphenyl)propanamide
CID 113120467
3-[acetyl(pyridin-3-ylmethyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 113120493
3-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-methylphenyl)propanamide
CID 113120428
3-[acetyl(pyridin-3-ylmethyl)amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113120356
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide
CID 113163640
N-[4-(dimethylamino)phenyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151704
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-phenoxyphenyl)acetamide
CID 113163707
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-chlorophenyl)propanamide
CID 113120649
3-[acetyl(benzyl)amino]-N-(4-fluorophenyl)propanamide
CID 113118291
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 113120639

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(pyridin-3-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide?
The IUPAC name of 3-[acetyl(pyridin-3-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide (CID 113120489) is 3-[acetyl(pyridin-3-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide.
What is the SMILES notation for 3-[acetyl(pyridin-3-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide?
The canonical SMILES for 3-[acetyl(pyridin-3-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide is CC(=O)N(CCC(=O)Nc1ccc(N(C)C)cc1)Cc1cccnc1.
What is the InChIKey of 3-[acetyl(pyridin-3-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide?
The InChIKey is AOPZVTJMSWIWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-15(24)23(14-16-5-4-11-20-13-16)12-10-19(25)21-17-6-8-18(9-7-17)22(2)3/h4-9,11,13H,10,12,14H2,1-3H3,(H,21,25).
What are the key properties of 3-[acetyl(pyridin-3-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide?
3-[acetyl(pyridin-3-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide has a molecular weight of 340.43 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(pyridin-3-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide is sourced from PubChem (CID 113120489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).