6-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carboxamide

C15H18N4O — CID 64588400

IUPAC6-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carboxamide
SMILESCCN(Cc1ccc(N)cc1)c1cccc(C(N)=O)n1
InChIInChI=1S/C15H18N4O/c1-2-19(10-11-6-8-12(16)9-7-11)14-5-3-4-13(18-14)15(17)20/h3-9H,2,10,16H2,1H3,(H2,17,20)
InChIKeyUENLLRAUKOYKPJ-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.79
Rot. Bonds5

About 6-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carboxamide

6-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carboxamide (PubChem CID 64588400) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 6-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carboxamide
PubChem CID64588400
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name6-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carboxamide
SMILESCCN(Cc1ccc(N)cc1)c1cccc(C(N)=O)n1
InChIInChI=1S/C15H18N4O/c1-2-19(10-11-6-8-12(16)9-7-11)14-5-3-4-13(18-14)15(17)20/h3-9H,2,10,16H2,1H3,(H2,17,20)
InChIKeyUENLLRAUKOYKPJ-UHFFFAOYSA-N
XLogP1.79
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-[(3-aminophenyl)methyl-propylamino]pyridine-2-carboxamide
CID 64589399
6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridine-2-carboxylic acid
CID 122054452
4-[(4-amino-N-ethylanilino)methyl]benzamide
CID 63233885
N-[(4-aminophenyl)methyl]-N-ethyl-6-methylpyridine-2-carboxamide
CID 43458715
6-(diethylamino)pyridine-2-carbothioamide
CID 64587426
6-[(3-aminophenyl)methyl-cyclopropylamino]pyridine-2-carboxamide
CID 64588996
2-[(3-aminophenyl)methyl-ethylamino]pyridine-4-carboxamide
CID 60875501
4-[(4-aminophenyl)methyl-ethylamino]-3-bromobenzamide
CID 82789748
ethyl 2-[(6-carbamothioyl-2-pyridinyl)-ethylamino]acetate
CID 64588452
5-amino-2-[benzyl(ethyl)amino]benzamide
CID 61307466
6-[2-ethoxyethyl(methyl)amino]pyridine-2-carboxamide
CID 173079352
6-[ethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid
CID 62253963

Frequently Asked Questions

What is the IUPAC name of 6-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carboxamide?
The IUPAC name of 6-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carboxamide (CID 64588400) is 6-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for 6-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carboxamide?
The canonical SMILES for 6-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carboxamide is CCN(Cc1ccc(N)cc1)c1cccc(C(N)=O)n1.
What is the InChIKey of 6-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carboxamide?
The InChIKey is UENLLRAUKOYKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-2-19(10-11-6-8-12(16)9-7-11)14-5-3-4-13(18-14)15(17)20/h3-9H,2,10,16H2,1H3,(H2,17,20).
What are the key properties of 6-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carboxamide?
6-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 64588400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).