5-(3-aminophenyl)-N,N-diethylpyridine-3-carboxamide

C16H19N3O — CID 10355739

IUPAC5-(3-aminophenyl)-N,N-diethylpyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1cncc(-c2cccc(N)c2)c1
InChIInChI=1S/C16H19N3O/c1-3-19(4-2)16(20)14-8-13(10-18-11-14)12-6-5-7-15(17)9-12/h5-11H,3-4,17H2,1-2H3
InChIKeyIUTXPLJWMGMPSQ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.81
Rot. Bonds4

About 5-(3-aminophenyl)-N,N-diethylpyridine-3-carboxamide

5-(3-aminophenyl)-N,N-diethylpyridine-3-carboxamide (PubChem CID 10355739) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-(3-aminophenyl)-N,N-diethylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-aminophenyl)-N,N-diethylpyridine-3-carboxamide
PubChem CID10355739
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name5-(3-aminophenyl)-N,N-diethylpyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1cncc(-c2cccc(N)c2)c1
InChIInChI=1S/C16H19N3O/c1-3-19(4-2)16(20)14-8-13(10-18-11-14)12-6-5-7-15(17)9-12/h5-11H,3-4,17H2,1-2H3
InChIKeyIUTXPLJWMGMPSQ-UHFFFAOYSA-N
XLogP2.81
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminophenyl)-N,N-diethylpyridine-3-carboxamide?
The IUPAC name of 5-(3-aminophenyl)-N,N-diethylpyridine-3-carboxamide (CID 10355739) is 5-(3-aminophenyl)-N,N-diethylpyridine-3-carboxamide.
What is the SMILES notation for 5-(3-aminophenyl)-N,N-diethylpyridine-3-carboxamide?
The canonical SMILES for 5-(3-aminophenyl)-N,N-diethylpyridine-3-carboxamide is CCN(CC)C(=O)c1cncc(-c2cccc(N)c2)c1.
What is the InChIKey of 5-(3-aminophenyl)-N,N-diethylpyridine-3-carboxamide?
The InChIKey is IUTXPLJWMGMPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-19(4-2)16(20)14-8-13(10-18-11-14)12-6-5-7-15(17)9-12/h5-11H,3-4,17H2,1-2H3.
What are the key properties of 5-(3-aminophenyl)-N,N-diethylpyridine-3-carboxamide?
5-(3-aminophenyl)-N,N-diethylpyridine-3-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminophenyl)-N,N-diethylpyridine-3-carboxamide is sourced from PubChem (CID 10355739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).