3-(2-aminoethyl)-N-(pyridin-4-ylmethyl)benzamide

C15H17N3O — CID 62594019

IUPAC3-(2-aminoethyl)-N-(pyridin-4-ylmethyl)benzamide
SMILESNCCc1cccc(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C15H17N3O/c16-7-4-12-2-1-3-14(10-12)15(19)18-11-13-5-8-17-9-6-13/h1-3,5-6,8-10H,4,7,11,16H2,(H,18,19)
InChIKeyHLRNULNSJYWZSB-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.51
Rot. Bonds5

About 3-(2-aminoethyl)-N-(pyridin-4-ylmethyl)benzamide

3-(2-aminoethyl)-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 62594019) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-(pyridin-4-ylmethyl)benzamide
PubChem CID62594019
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-(2-aminoethyl)-N-(pyridin-4-ylmethyl)benzamide
SMILESNCCc1cccc(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C15H17N3O/c16-7-4-12-2-1-3-14(10-12)15(19)18-11-13-5-8-17-9-6-13/h1-3,5-6,8-10H,4,7,11,16H2,(H,18,19)
InChIKeyHLRNULNSJYWZSB-UHFFFAOYSA-N
XLogP1.51
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-aminoethyl)-N-(pyridin-4-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-aminoethyl)-N-benzylbenzamide
CID 62591363
3-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114954387
N-[[4-(2-aminoethyl)phenyl]methyl]pyridine-3-carboxamide
CID 62502833
3-(2-aminoethyl)-N-[[4-(3-bromopropoxy)phenyl]methyl]benzamide
CID 69047071
3-N-(4-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055212
3-N-(2-fluorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055208
3-(2-aminoethyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 62592960
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
3-(2-aminoethyl)-N-(cyclobutylmethyl)benzamide
CID 62592961
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(2-aminoethyl)benzamide
CID 106274758
3,4-dimethoxy-N-[[3-(2-pyridin-4-ylethylcarbamoyl)phenyl]methyl]benzamide
CID 44819015
3-N-(2-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055185

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 3-(2-aminoethyl)-N-(pyridin-4-ylmethyl)benzamide (CID 62594019) is 3-(2-aminoethyl)-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 3-(2-aminoethyl)-N-(pyridin-4-ylmethyl)benzamide is NCCc1cccc(C(=O)NCc2ccncc2)c1.
What is the InChIKey of 3-(2-aminoethyl)-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is HLRNULNSJYWZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c16-7-4-12-2-1-3-14(10-12)15(19)18-11-13-5-8-17-9-6-13/h1-3,5-6,8-10H,4,7,11,16H2,(H,18,19).
What are the key properties of 3-(2-aminoethyl)-N-(pyridin-4-ylmethyl)benzamide?
3-(2-aminoethyl)-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 255.32 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 62594019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).