2-[4-(dimethylamino)anilino]-N-(pyridin-4-ylmethyl)acetamide

C16H20N4O — CID 108999838

IUPAC2-[4-(dimethylamino)anilino]-N-(pyridin-4-ylmethyl)acetamide
SMILESCN(C)c1ccc(NCC(=O)NCc2ccncc2)cc1
InChIInChI=1S/C16H20N4O/c1-20(2)15-5-3-14(4-6-15)18-12-16(21)19-11-13-7-9-17-10-8-13/h3-10,18H,11-12H2,1-2H3,(H,19,21)
InChIKeyWFWYWFISEORRIA-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.88
Rot. Bonds6

About 2-[4-(dimethylamino)anilino]-N-(pyridin-4-ylmethyl)acetamide

2-[4-(dimethylamino)anilino]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 108999838) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[4-(dimethylamino)anilino]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)anilino]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID108999838
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-[4-(dimethylamino)anilino]-N-(pyridin-4-ylmethyl)acetamide
SMILESCN(C)c1ccc(NCC(=O)NCc2ccncc2)cc1
InChIInChI=1S/C16H20N4O/c1-20(2)15-5-3-14(4-6-15)18-12-16(21)19-11-13-7-9-17-10-8-13/h3-10,18H,11-12H2,1-2H3,(H,19,21)
InChIKeyWFWYWFISEORRIA-UHFFFAOYSA-N
XLogP1.88
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.88
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

2-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]acetamide
CID 108997892
N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963751
2-(3-methylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 108999782
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 108999855
N-(cyanomethyl)-2-[4-(dimethylamino)anilino]acetamide
CID 43617058
2-[4-(dimethylamino)anilino]-N-[3-(dimethylamino)propyl]acetamide
CID 108995317
3-[4-(dimethylamino)anilino]-N-(pyridin-3-ylmethyl)propanamide
CID 109023573
2-[4-(dimethylamino)anilino]acetic acid
CID 28744032
2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)acetamide
CID 7559879
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 9295463
3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 4634724
2-[4-(dimethylamino)anilino]-N-(3-methylbutan-2-yl)acetamide
CID 60685378

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)anilino]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-[4-(dimethylamino)anilino]-N-(pyridin-4-ylmethyl)acetamide (CID 108999838) is 2-[4-(dimethylamino)anilino]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(dimethylamino)anilino]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(dimethylamino)anilino]-N-(pyridin-4-ylmethyl)acetamide is CN(C)c1ccc(NCC(=O)NCc2ccncc2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)anilino]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is WFWYWFISEORRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-20(2)15-5-3-14(4-6-15)18-12-16(21)19-11-13-7-9-17-10-8-13/h3-10,18H,11-12H2,1-2H3,(H,19,21).
What are the key properties of 2-[4-(dimethylamino)anilino]-N-(pyridin-4-ylmethyl)acetamide?
2-[4-(dimethylamino)anilino]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 284.36 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)anilino]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 108999838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).