N-[(3-aminophenyl)methyl]-N-ethylpyridine-4-carboxamide

C15H17N3O — CID 43459023

IUPACN-[(3-aminophenyl)methyl]-N-ethylpyridine-4-carboxamide
SMILESCCN(Cc1cccc(N)c1)C(=O)c1ccncc1
InChIInChI=1S/C15H17N3O/c1-2-18(11-12-4-3-5-14(16)10-12)15(19)13-6-8-17-9-7-13/h3-10H,2,11,16H2,1H3
InChIKeyIIMDDQDLIXJYPV-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.33
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-N-ethylpyridine-4-carboxamide

N-[(3-aminophenyl)methyl]-N-ethylpyridine-4-carboxamide (PubChem CID 43459023) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N-ethylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N-ethylpyridine-4-carboxamide
PubChem CID43459023
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[(3-aminophenyl)methyl]-N-ethylpyridine-4-carboxamide
SMILESCCN(Cc1cccc(N)c1)C(=O)c1ccncc1
InChIInChI=1S/C15H17N3O/c1-2-18(11-12-4-3-5-14(16)10-12)15(19)13-6-8-17-9-7-13/h3-10H,2,11,16H2,1H3
InChIKeyIIMDDQDLIXJYPV-UHFFFAOYSA-N
XLogP2.33
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 54905832
N-[(3-aminophenyl)methyl]-N-ethylpyrimidine-5-carboxamide
CID 102921247
N-[(3-aminophenyl)methyl]-N-ethyl-4-iodobenzamide
CID 43458930
N-[(3-aminophenyl)methyl]-N-ethyl-3,5-difluorobenzamide
CID 43458961
N-[(3-aminophenyl)methyl]-N-ethyl-3-fluoropyridine-4-carboxamide
CID 64948867
N-[(3-aminophenyl)methyl]-N-ethyl-6-methylpyridine-3-carboxamide
CID 43458991
N-[(3-aminophenyl)methyl]-N-ethyl-3,4-difluorobenzamide
CID 43458956
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 60939211
N-[(3-aminophenyl)methyl]-N-ethyl-3-methylpyridine-2-carboxamide
CID 62340614
N-[(3-aminophenyl)methyl]-N-ethyl-2-methylbenzamide
CID 43459006
N-[(3-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide
CID 43458950
N-[(3-aminophenyl)methyl]-5-bromo-N-ethylthiophene-2-carboxamide
CID 43458976

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N-ethylpyridine-4-carboxamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-N-ethylpyridine-4-carboxamide (CID 43459023) is N-[(3-aminophenyl)methyl]-N-ethylpyridine-4-carboxamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N-ethylpyridine-4-carboxamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N-ethylpyridine-4-carboxamide is CCN(Cc1cccc(N)c1)C(=O)c1ccncc1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N-ethylpyridine-4-carboxamide?
The InChIKey is IIMDDQDLIXJYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-18(11-12-4-3-5-14(16)10-12)15(19)13-6-8-17-9-7-13/h3-10H,2,11,16H2,1H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N-ethylpyridine-4-carboxamide?
N-[(3-aminophenyl)methyl]-N-ethylpyridine-4-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-N-ethylpyridine-4-carboxamide is sourced from PubChem (CID 43459023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).