2-[(3-aminophenyl)methyl-ethylamino]pyridine-4-carboxamide

C15H18N4O — CID 60875501

IUPAC2-[(3-aminophenyl)methyl-ethylamino]pyridine-4-carboxamide
SMILESCCN(Cc1cccc(N)c1)c1cc(C(N)=O)ccn1
InChIInChI=1S/C15H18N4O/c1-2-19(10-11-4-3-5-13(16)8-11)14-9-12(15(17)20)6-7-18-14/h3-9H,2,10,16H2,1H3,(H2,17,20)
InChIKeyZGFANYMKPLDDIX-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.79
Rot. Bonds5

About 2-[(3-aminophenyl)methyl-ethylamino]pyridine-4-carboxamide

2-[(3-aminophenyl)methyl-ethylamino]pyridine-4-carboxamide (PubChem CID 60875501) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-[(3-aminophenyl)methyl-ethylamino]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(3-aminophenyl)methyl-ethylamino]pyridine-4-carboxamide
PubChem CID60875501
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-[(3-aminophenyl)methyl-ethylamino]pyridine-4-carboxamide
SMILESCCN(Cc1cccc(N)c1)c1cc(C(N)=O)ccn1
InChIInChI=1S/C15H18N4O/c1-2-19(10-11-4-3-5-13(16)8-11)14-9-12(15(17)20)6-7-18-14/h3-9H,2,10,16H2,1H3,(H2,17,20)
InChIKeyZGFANYMKPLDDIX-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-[(3-aminophenyl)methyl]-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64828920
4-[(3-aminophenyl)methyl-ethylamino]-1H-pyrimidin-6-one
CID 136979201
3-[[(3-aminophenyl)methyl-methylamino]methyl]benzamide
CID 43457958
4-[(3-aminophenyl)methyl-propylamino]benzamide
CID 60877204
N-[(3-aminophenyl)methyl]-N-ethylpyridine-4-carboxamide
CID 43459023
N-[(3-aminophenyl)methyl]-N-ethyl-6-methoxypyrimidin-4-amine
CID 66320787
2-[(3-aminophenyl)methyl-pyrimidin-2-ylamino]acetamide
CID 60874955
N-[(3-aminophenyl)methyl]-6-ethoxy-N-ethylpyridin-2-amine
CID 63591322
2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carbothioamide
CID 61449400
2-[benzyl(ethyl)amino]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109171593
6-[(3-aminophenyl)methyl-propylamino]pyridine-2-carboxamide
CID 64589399
2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 109171588

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)methyl-ethylamino]pyridine-4-carboxamide?
The IUPAC name of 2-[(3-aminophenyl)methyl-ethylamino]pyridine-4-carboxamide (CID 60875501) is 2-[(3-aminophenyl)methyl-ethylamino]pyridine-4-carboxamide.
What is the SMILES notation for 2-[(3-aminophenyl)methyl-ethylamino]pyridine-4-carboxamide?
The canonical SMILES for 2-[(3-aminophenyl)methyl-ethylamino]pyridine-4-carboxamide is CCN(Cc1cccc(N)c1)c1cc(C(N)=O)ccn1.
What is the InChIKey of 2-[(3-aminophenyl)methyl-ethylamino]pyridine-4-carboxamide?
The InChIKey is ZGFANYMKPLDDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-2-19(10-11-4-3-5-13(16)8-11)14-9-12(15(17)20)6-7-18-14/h3-9H,2,10,16H2,1H3,(H2,17,20).
What are the key properties of 2-[(3-aminophenyl)methyl-ethylamino]pyridine-4-carboxamide?
2-[(3-aminophenyl)methyl-ethylamino]pyridine-4-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 2-[(3-aminophenyl)methyl-ethylamino]pyridine-4-carboxamide is sourced from PubChem (CID 60875501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).