3-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzamide

C15H17N3O — CID 54905832

IUPAC3-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
SMILESCCN(Cc1ccncc1)C(=O)c1cccc(N)c1
InChIInChI=1S/C15H17N3O/c1-2-18(11-12-6-8-17-9-7-12)15(19)13-4-3-5-14(16)10-13/h3-10H,2,11,16H2,1H3
InChIKeyMHAJUMWBXVYJET-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.33
Rot. Bonds4

About 3-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzamide

3-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 54905832) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
PubChem CID54905832
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
SMILESCCN(Cc1ccncc1)C(=O)c1cccc(N)c1
InChIInChI=1S/C15H17N3O/c1-2-18(11-12-6-8-17-9-7-12)15(19)13-4-3-5-14(16)10-13/h3-10H,2,11,16H2,1H3
InChIKeyMHAJUMWBXVYJET-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

N-[(3-aminophenyl)methyl]-N-ethylpyridine-4-carboxamide
CID 43459023
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 60939211
3-ethoxy-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 6466465
3-amino-4-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 61114914
3-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 119863755
N-[(3-aminophenyl)methyl]-N-ethylpyrimidine-5-carboxamide
CID 102921247
3-amino-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 60940215
2-(3-aminophenoxy)-N-ethyl-N-(pyridin-4-ylmethyl)acetamide
CID 61115292
N-[(3-aminophenyl)methyl]-N-ethyl-3-fluoropyridine-4-carboxamide
CID 64948867
N-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6470450
N-[(3-aminophenyl)methyl]-N-ethyl-4-iodobenzamide
CID 43458930
N-[(3-aminophenyl)methyl]-N-ethyl-3,4-difluorobenzamide
CID 43458956

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 3-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzamide (CID 54905832) is 3-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 3-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzamide is CCN(Cc1ccncc1)C(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is MHAJUMWBXVYJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-18(11-12-6-8-17-9-7-12)15(19)13-4-3-5-14(16)10-13/h3-10H,2,11,16H2,1H3.
What are the key properties of 3-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzamide?
3-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzamide 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 3-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 54905832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).