4-(methylamino)-1-pyridin-2-ylbutan-1-one

C10H14N2O — CID 83816768

IUPAC4-(methylamino)-1-pyridin-2-ylbutan-1-one
SMILESCNCCCC(=O)c1ccccn1
InChIInChI=1S/C10H14N2O/c1-11-7-4-6-10(13)9-5-2-3-8-12-9/h2-3,5,8,11H,4,6-7H2,1H3
InChIKeyWNBJEMVAHNNVJC-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.26
Rot. Bonds5

About 4-(methylamino)-1-pyridin-2-ylbutan-1-one

4-(methylamino)-1-pyridin-2-ylbutan-1-one (PubChem CID 83816768) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 4-(methylamino)-1-pyridin-2-ylbutan-1-one.

Molecular Properties

Compound Name4-(methylamino)-1-pyridin-2-ylbutan-1-one
PubChem CID83816768
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name4-(methylamino)-1-pyridin-2-ylbutan-1-one
SMILESCNCCCC(=O)c1ccccn1
InChIInChI=1S/C10H14N2O/c1-11-7-4-6-10(13)9-5-2-3-8-12-9/h2-3,5,8,11H,4,6-7H2,1H3
InChIKeyWNBJEMVAHNNVJC-UHFFFAOYSA-N
XLogP1.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.26
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

1-pyridin-2-ylhexan-1-one
CID 556347
(5-oxo-5-pyridin-2-ylpentyl)carbamic acid
CID 68759301
1-pyridin-2-yl-4-sulfanylbutan-1-one
CID 20509868
4-methylsulfonyl-1-pyridin-2-ylbutan-1-one
CID 63192067
4-ethoxy-1-pyridin-2-ylbutan-1-one
CID 45074562
3-amino-1-pyridin-2-ylpropan-1-one
CID 45079500
5-(methylamino)-1-pyridin-2-ylpentan-2-one
CID 116555736
4,4-dimethyl-1-pyridin-2-ylpentan-1-one
CID 62620197
3-anilino-1-pyridin-2-ylpropan-1-one
CID 12523109
1-pyridin-2-ylbutane-1,3-dione
CID 12707221
N-[3-[methyl-[3-(methylamino)propyl]amino]propyl]pyridine-2-carboxamide
CID 59828295
2-(methylamino)ethyl pyridine-2-carboxylate
CID 23103066

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-1-pyridin-2-ylbutan-1-one?
The IUPAC name of 4-(methylamino)-1-pyridin-2-ylbutan-1-one (CID 83816768) is 4-(methylamino)-1-pyridin-2-ylbutan-1-one.
What is the SMILES notation for 4-(methylamino)-1-pyridin-2-ylbutan-1-one?
The canonical SMILES for 4-(methylamino)-1-pyridin-2-ylbutan-1-one is CNCCCC(=O)c1ccccn1.
What is the InChIKey of 4-(methylamino)-1-pyridin-2-ylbutan-1-one?
The InChIKey is WNBJEMVAHNNVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-11-7-4-6-10(13)9-5-2-3-8-12-9/h2-3,5,8,11H,4,6-7H2,1H3.
What are the key properties of 4-(methylamino)-1-pyridin-2-ylbutan-1-one?
4-(methylamino)-1-pyridin-2-ylbutan-1-one has a molecular weight of 178.24 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-1-pyridin-2-ylbutan-1-one is sourced from PubChem (CID 83816768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).