2-[benzyl(ethyl)amino]-N-(2-chloro-3-pyridinyl)acetamide

C16H18ClN3O — CID 8547504

IUPAC2-[benzyl(ethyl)amino]-N-(2-chloro-3-pyridinyl)acetamide
SMILESCCN(CC(=O)Nc1cccnc1Cl)Cc1ccccc1
InChIInChI=1S/C16H18ClN3O/c1-2-20(11-13-7-4-3-5-8-13)12-15(21)19-14-9-6-10-18-16(14)17/h3-10H,2,11-12H2,1H3,(H,19,21)
InChIKeyHMUDZHIJVYRYSW-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.20
Rot. Bonds6

About 2-[benzyl(ethyl)amino]-N-(2-chloro-3-pyridinyl)acetamide

2-[benzyl(ethyl)amino]-N-(2-chloro-3-pyridinyl)acetamide (PubChem CID 8547504) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-N-(2-chloro-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-N-(2-chloro-3-pyridinyl)acetamide
PubChem CID8547504
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-[benzyl(ethyl)amino]-N-(2-chloro-3-pyridinyl)acetamide
SMILESCCN(CC(=O)Nc1cccnc1Cl)Cc1ccccc1
InChIInChI=1S/C16H18ClN3O/c1-2-20(11-13-7-4-3-5-8-13)12-15(21)19-14-9-6-10-18-16(14)17/h3-10H,2,11-12H2,1H3,(H,19,21)
InChIKeyHMUDZHIJVYRYSW-UHFFFAOYSA-N
XLogP3.20
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[benzyl(ethyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 8541330
N-(2-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-ylmethyl)amino]acetamide
CID 79703986
N-(2-chloro-3-pyridinyl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide
CID 111497113
2-[benzyl(ethyl)amino]-N-(2-methylsulfonylphenyl)acetamide
CID 8564163
N-(2-aminophenyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide
CID 61450643
2-[benzyl(ethyl)amino]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 29231169
2-[benzyl(ethyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 8541615
methyl 3-[[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-methylamino]propanoate
CID 62011670
2-[(2-bromophenyl)methyl-methylamino]-N-(2-chloro-3-pyridinyl)acetamide
CID 8554679
2-[benzyl(ethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 18084887
2-[benzyl(ethyl)amino]-N-(2,6-diethylphenyl)acetamide
CID 78787460
2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-chloro-3-pyridinyl)acetamide
CID 135729541

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-N-(2-chloro-3-pyridinyl)acetamide?
The IUPAC name of 2-[benzyl(ethyl)amino]-N-(2-chloro-3-pyridinyl)acetamide (CID 8547504) is 2-[benzyl(ethyl)amino]-N-(2-chloro-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-N-(2-chloro-3-pyridinyl)acetamide?
The canonical SMILES for 2-[benzyl(ethyl)amino]-N-(2-chloro-3-pyridinyl)acetamide is CCN(CC(=O)Nc1cccnc1Cl)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(ethyl)amino]-N-(2-chloro-3-pyridinyl)acetamide?
The InChIKey is HMUDZHIJVYRYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-2-20(11-13-7-4-3-5-8-13)12-15(21)19-14-9-6-10-18-16(14)17/h3-10H,2,11-12H2,1H3,(H,19,21).
What are the key properties of 2-[benzyl(ethyl)amino]-N-(2-chloro-3-pyridinyl)acetamide?
2-[benzyl(ethyl)amino]-N-(2-chloro-3-pyridinyl)acetamide has a molecular weight of 303.79 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)amino]-N-(2-chloro-3-pyridinyl)acetamide is sourced from PubChem (CID 8547504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).