4-(2-pyridin-4-ylethylamino)butan-2-one

C11H16N2O — CID 115235981

IUPAC4-(2-pyridin-4-ylethylamino)butan-2-one
SMILESCC(=O)CCNCCc1ccncc1
InChIInChI=1S/C11H16N2O/c1-10(14)2-6-12-7-3-11-4-8-13-9-5-11/h4-5,8-9,12H,2-3,6-7H2,1H3
InChIKeyDWHJBXLQXVOERL-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.19
Rot. Bonds6

About 4-(2-pyridin-4-ylethylamino)butan-2-one

4-(2-pyridin-4-ylethylamino)butan-2-one (PubChem CID 115235981) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-(2-pyridin-4-ylethylamino)butan-2-one.

Molecular Properties

Compound Name4-(2-pyridin-4-ylethylamino)butan-2-one
PubChem CID115235981
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name4-(2-pyridin-4-ylethylamino)butan-2-one
SMILESCC(=O)CCNCCc1ccncc1
InChIInChI=1S/C11H16N2O/c1-10(14)2-6-12-7-3-11-4-8-13-9-5-11/h4-5,8-9,12H,2-3,6-7H2,1H3
InChIKeyDWHJBXLQXVOERL-UHFFFAOYSA-N
XLogP1.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.19
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-methyl-2-(2-pyridin-4-ylethylamino)acetamide
CID 60711939
5-(2-pyridin-4-ylethylamino)pentanoic acid
CID 103239957
2-(2-pyridin-4-ylethylamino)ethanol
CID 564407
N-[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]acetamide
CID 60914057
4-(pyridin-4-ylamino)butan-2-one
CID 89125446
2-methyl-4-(2-pyridin-4-ylethylamino)butan-2-ol
CID 79359431
3-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-4-ylmethyl)propanamide
CID 109023792
N-ethyl-2-(2-pyridin-4-ylethylamino)acetamide
CID 60863475
4-[2-(3-methylphenyl)ethylamino]butan-2-one
CID 115235975
N-methyl-N'-(2-pyridin-4-ylethyl)methanediamine
CID 115227249
N',N'-dimethyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 60649512
N,N-diethyl-2-(2-pyridin-4-ylethylamino)acetamide
CID 60904348

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-4-ylethylamino)butan-2-one?
The IUPAC name of 4-(2-pyridin-4-ylethylamino)butan-2-one (CID 115235981) is 4-(2-pyridin-4-ylethylamino)butan-2-one.
What is the SMILES notation for 4-(2-pyridin-4-ylethylamino)butan-2-one?
The canonical SMILES for 4-(2-pyridin-4-ylethylamino)butan-2-one is CC(=O)CCNCCc1ccncc1.
What is the InChIKey of 4-(2-pyridin-4-ylethylamino)butan-2-one?
The InChIKey is DWHJBXLQXVOERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-10(14)2-6-12-7-3-11-4-8-13-9-5-11/h4-5,8-9,12H,2-3,6-7H2,1H3.
What are the key properties of 4-(2-pyridin-4-ylethylamino)butan-2-one?
4-(2-pyridin-4-ylethylamino)butan-2-one has a molecular weight of 192.26 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-4-ylethylamino)butan-2-one is sourced from PubChem (CID 115235981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).