3-(2-aminoethyl)-N-(2-pyridin-2-ylethyl)benzamide

C16H19N3O — CID 62592960

IUPAC3-(2-aminoethyl)-N-(2-pyridin-2-ylethyl)benzamide
SMILESNCCc1cccc(C(=O)NCCc2ccccn2)c1
InChIInChI=1S/C16H19N3O/c17-9-7-13-4-3-5-14(12-13)16(20)19-11-8-15-6-1-2-10-18-15/h1-6,10,12H,7-9,11,17H2,(H,19,20)
InChIKeyWXOFXSMQNNZKFK-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.56
Rot. Bonds6

About 3-(2-aminoethyl)-N-(2-pyridin-2-ylethyl)benzamide

3-(2-aminoethyl)-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 62592960) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-(2-pyridin-2-ylethyl)benzamide
PubChem CID62592960
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-(2-aminoethyl)-N-(2-pyridin-2-ylethyl)benzamide
SMILESNCCc1cccc(C(=O)NCCc2ccccn2)c1
InChIInChI=1S/C16H19N3O/c17-9-7-13-4-3-5-14(12-13)16(20)19-11-8-15-6-1-2-10-18-15/h1-6,10,12H,7-9,11,17H2,(H,19,20)
InChIKeyWXOFXSMQNNZKFK-UHFFFAOYSA-N
XLogP1.56
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-pyridin-2-ylethyl)benzamide
CID 24704285
2-(hydroxymethyl)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 115116136
3-(2-aminoethyl)-N-benzylbenzamide
CID 62591363
3-(2-aminoethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 62594019
3-(2-aminoethyl)-N-(3-methylsulfinylpropyl)benzamide
CID 113487169
6-[(2-aminoethylamino)methyl]-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide
CID 10590275
N-methyl-3-[[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]methyl]benzamide
CID 111193650
3-(aminomethyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 60895534
3-(2-aminoethyl)-N-(2-ethoxyethyl)benzamide
CID 55090903
2,4-diamino-N-(2-pyridin-2-ylethyl)benzamide
CID 61095096
N-(2-pyridin-2-ylethyl)-1H-indole-6-carboxamide
CID 22139228
N-(2-pyridin-2-ylethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide
CID 46652635

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-(2-pyridin-2-ylethyl)benzamide?
The IUPAC name of 3-(2-aminoethyl)-N-(2-pyridin-2-ylethyl)benzamide (CID 62592960) is 3-(2-aminoethyl)-N-(2-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-(2-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 3-(2-aminoethyl)-N-(2-pyridin-2-ylethyl)benzamide is NCCc1cccc(C(=O)NCCc2ccccn2)c1.
What is the InChIKey of 3-(2-aminoethyl)-N-(2-pyridin-2-ylethyl)benzamide?
The InChIKey is WXOFXSMQNNZKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c17-9-7-13-4-3-5-14(12-13)16(20)19-11-8-15-6-1-2-10-18-15/h1-6,10,12H,7-9,11,17H2,(H,19,20).
What are the key properties of 3-(2-aminoethyl)-N-(2-pyridin-2-ylethyl)benzamide?
3-(2-aminoethyl)-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 269.35 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 62592960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).