4-[1-(4-aminophenyl)ethylamino]-2,6-dimethylpyridine-3-carboxamide

C16H20N4O — CID 81036110

IUPAC4-[1-(4-aminophenyl)ethylamino]-2,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(NC(C)c2ccc(N)cc2)c(C(N)=O)c(C)n1
InChIInChI=1S/C16H20N4O/c1-9-8-14(15(16(18)21)11(3)19-9)20-10(2)12-4-6-13(17)7-5-12/h4-8,10H,17H2,1-3H3,(H2,18,21)(H,19,20)
InChIKeyQGOFZGHDXIBUCC-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.55
Rot. Bonds4

About 4-[1-(4-aminophenyl)ethylamino]-2,6-dimethylpyridine-3-carboxamide

4-[1-(4-aminophenyl)ethylamino]-2,6-dimethylpyridine-3-carboxamide (PubChem CID 81036110) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[1-(4-aminophenyl)ethylamino]-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-[1-(4-aminophenyl)ethylamino]-2,6-dimethylpyridine-3-carboxamide
PubChem CID81036110
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-[1-(4-aminophenyl)ethylamino]-2,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(NC(C)c2ccc(N)cc2)c(C(N)=O)c(C)n1
InChIInChI=1S/C16H20N4O/c1-9-8-14(15(16(18)21)11(3)19-9)20-10(2)12-4-6-13(17)7-5-12/h4-8,10H,17H2,1-3H3,(H2,18,21)(H,19,20)
InChIKeyQGOFZGHDXIBUCC-UHFFFAOYSA-N
XLogP2.55
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-aminophenyl)ethylamino]-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 4-[1-(4-aminophenyl)ethylamino]-2,6-dimethylpyridine-3-carboxamide (CID 81036110) is 4-[1-(4-aminophenyl)ethylamino]-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 4-[1-(4-aminophenyl)ethylamino]-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 4-[1-(4-aminophenyl)ethylamino]-2,6-dimethylpyridine-3-carboxamide is Cc1cc(NC(C)c2ccc(N)cc2)c(C(N)=O)c(C)n1.
What is the InChIKey of 4-[1-(4-aminophenyl)ethylamino]-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is QGOFZGHDXIBUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-9-8-14(15(16(18)21)11(3)19-9)20-10(2)12-4-6-13(17)7-5-12/h4-8,10H,17H2,1-3H3,(H2,18,21)(H,19,20).
What are the key properties of 4-[1-(4-aminophenyl)ethylamino]-2,6-dimethylpyridine-3-carboxamide?
4-[1-(4-aminophenyl)ethylamino]-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-aminophenyl)ethylamino]-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 81036110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).