N,N-diethyl-2-(2-pyridin-4-ylethylamino)acetamide

C13H21N3O — CID 60904348

IUPACN,N-diethyl-2-(2-pyridin-4-ylethylamino)acetamide
SMILESCCN(CC)C(=O)CNCCc1ccncc1
InChIInChI=1S/C13H21N3O/c1-3-16(4-2)13(17)11-15-10-7-12-5-8-14-9-6-12/h5-6,8-9,15H,3-4,7,10-11H2,1-2H3
InChIKeyKTXNEKCPCWMNCB-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.08
Rot. Bonds7

About N,N-diethyl-2-(2-pyridin-4-ylethylamino)acetamide

N,N-diethyl-2-(2-pyridin-4-ylethylamino)acetamide (PubChem CID 60904348) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N,N-diethyl-2-(2-pyridin-4-ylethylamino)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(2-pyridin-4-ylethylamino)acetamide
PubChem CID60904348
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN,N-diethyl-2-(2-pyridin-4-ylethylamino)acetamide
SMILESCCN(CC)C(=O)CNCCc1ccncc1
InChIInChI=1S/C13H21N3O/c1-3-16(4-2)13(17)11-15-10-7-12-5-8-14-9-6-12/h5-6,8-9,15H,3-4,7,10-11H2,1-2H3
InChIKeyKTXNEKCPCWMNCB-UHFFFAOYSA-N
XLogP1.08
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-2-[2-(4-fluorophenyl)ethylamino]acetamide
CID 28570858
N,N-diethyl-3-pyridin-4-ylpropanamide
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N-ethyl-2-(2-pyridin-4-ylethylamino)acetamide
CID 60863475
N-methyl-2-(2-pyridin-4-ylethylamino)acetamide
CID 60711939
2-methylidene-N-(2-pyridin-4-ylethyl)butan-1-amine
CID 66045454
N-methyl-2-(3-phenylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 109001500
4-(2-pyridin-4-ylethylamino)butan-2-one
CID 115235981
N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108526067
N-methyl-N'-(2-pyridin-4-ylethyl)methanediamine
CID 115227249
N-[2-[ethyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]cyclopropanecarboxamide
CID 110687138
N,N-diethyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 80682839
N,N-diethyl-2-(propylamino)acetamide
CID 15103931

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2-pyridin-4-ylethylamino)acetamide?
The IUPAC name of N,N-diethyl-2-(2-pyridin-4-ylethylamino)acetamide (CID 60904348) is N,N-diethyl-2-(2-pyridin-4-ylethylamino)acetamide.
What is the SMILES notation for N,N-diethyl-2-(2-pyridin-4-ylethylamino)acetamide?
The canonical SMILES for N,N-diethyl-2-(2-pyridin-4-ylethylamino)acetamide is CCN(CC)C(=O)CNCCc1ccncc1.
What is the InChIKey of N,N-diethyl-2-(2-pyridin-4-ylethylamino)acetamide?
The InChIKey is KTXNEKCPCWMNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-16(4-2)13(17)11-15-10-7-12-5-8-14-9-6-12/h5-6,8-9,15H,3-4,7,10-11H2,1-2H3.
What are the key properties of N,N-diethyl-2-(2-pyridin-4-ylethylamino)acetamide?
N,N-diethyl-2-(2-pyridin-4-ylethylamino)acetamide has a molecular weight of 235.33 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-pyridin-4-ylethylamino)acetamide is sourced from PubChem (CID 60904348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).