3-[4-(dimethylamino)anilino]-N-(pyridin-3-ylmethyl)propanamide

C17H22N4O — CID 109023573

IUPAC3-[4-(dimethylamino)anilino]-N-(pyridin-3-ylmethyl)propanamide
SMILESCN(C)c1ccc(NCCC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C17H22N4O/c1-21(2)16-7-5-15(6-8-16)19-11-9-17(22)20-13-14-4-3-10-18-12-14/h3-8,10,12,19H,9,11,13H2,1-2H3,(H,20,22)
InChIKeyAYOYKNQXWPMECK-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.27
Rot. Bonds7

About 3-[4-(dimethylamino)anilino]-N-(pyridin-3-ylmethyl)propanamide

3-[4-(dimethylamino)anilino]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 109023573) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-[4-(dimethylamino)anilino]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[4-(dimethylamino)anilino]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID109023573
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name3-[4-(dimethylamino)anilino]-N-(pyridin-3-ylmethyl)propanamide
SMILESCN(C)c1ccc(NCCC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C17H22N4O/c1-21(2)16-7-5-15(6-8-16)19-11-9-17(22)20-13-14-4-3-10-18-12-14/h3-8,10,12,19H,9,11,13H2,1-2H3,(H,20,22)
InChIKeyAYOYKNQXWPMECK-UHFFFAOYSA-N
XLogP2.27
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
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

N-[[4-(dimethylamino)phenyl]methyl]-3-pyridin-3-ylpropanamide
CID 27888266
3-(2,6-difluoroanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023616
3-(2-fluoroanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023536
3-[2,6-di(propan-2-yl)anilino]-N-(pyridin-3-ylmethyl)propanamide
CID 109023591
3-(2,3-dimethylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023524
3-(dipropylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023509
3-(3-cyanoanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023612
(2S)-2-amino-3,3-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]butanamide
CID 119860208
2-[4-(dimethylamino)anilino]-N-(pyridin-4-ylmethyl)acetamide
CID 108999838
N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide
CID 109021011
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
3-[acetyl(butan-2-yl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 113116146

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)anilino]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-[4-(dimethylamino)anilino]-N-(pyridin-3-ylmethyl)propanamide (CID 109023573) is 3-[4-(dimethylamino)anilino]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[4-(dimethylamino)anilino]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-[4-(dimethylamino)anilino]-N-(pyridin-3-ylmethyl)propanamide is CN(C)c1ccc(NCCC(=O)NCc2cccnc2)cc1.
What is the InChIKey of 3-[4-(dimethylamino)anilino]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is AYOYKNQXWPMECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-21(2)16-7-5-15(6-8-16)19-11-9-17(22)20-13-14-4-3-10-18-12-14/h3-8,10,12,19H,9,11,13H2,1-2H3,(H,20,22).
What are the key properties of 3-[4-(dimethylamino)anilino]-N-(pyridin-3-ylmethyl)propanamide?
3-[4-(dimethylamino)anilino]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 298.39 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)anilino]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 109023573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).