3-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzamide

C16H19N3O — CID 114954387

IUPAC3-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzamide
SMILESCc1ccncc1CNC(=O)c1cccc(CCN)c1
InChIInChI=1S/C16H19N3O/c1-12-6-8-18-10-15(12)11-19-16(20)14-4-2-3-13(9-14)5-7-17/h2-4,6,8-10H,5,7,11,17H2,1H3,(H,19,20)
InChIKeyHECLULOFVNZBNE-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.82
Rot. Bonds5

About 3-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzamide

3-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzamide (PubChem CID 114954387) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzamide
PubChem CID114954387
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzamide
SMILESCc1ccncc1CNC(=O)c1cccc(CCN)c1
InChIInChI=1S/C16H19N3O/c1-12-6-8-18-10-15(12)11-19-16(20)14-4-2-3-13(9-14)5-7-17/h2-4,6,8-10H,5,7,11,17H2,1H3,(H,19,20)
InChIKeyHECLULOFVNZBNE-UHFFFAOYSA-N
XLogP1.82
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminoethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 62594019
3-amino-4-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114954315
3-(2-aminoethyl)-N-benzylbenzamide
CID 62591363
3,5-difluoro-4-hydrazinyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114957550
4-[(4-methyl-3-pyridinyl)methylcarbamoyl]benzoic acid
CID 114957277
2-bromo-N-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 114037435
2-amino-3-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114955918
5-amino-2-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114954363
4-(difluoromethyl)-3,5-difluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 166012096
3-carbamothioyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700470
2-hydroxy-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114956373
N-[[4-(2-aminoethyl)phenyl]methyl]pyridine-3-carboxamide
CID 62502833

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 3-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzamide (CID 114954387) is 3-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzamide is Cc1ccncc1CNC(=O)c1cccc(CCN)c1.
What is the InChIKey of 3-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzamide?
The InChIKey is HECLULOFVNZBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-6-8-18-10-15(12)11-19-16(20)14-4-2-3-13(9-14)5-7-17/h2-4,6,8-10H,5,7,11,17H2,1H3,(H,19,20).
What are the key properties of 3-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzamide?
3-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzamide has a molecular weight of 269.35 g/mol, XLogP of 1.82, 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-[(4-methyl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 114954387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).