2-(propan-2-ylamino)-1-(5-propoxy-3-pyridinyl)ethanone

C13H20N2O2 — CID 116554859

IUPAC2-(propan-2-ylamino)-1-(5-propoxy-3-pyridinyl)ethanone
SMILESCCCOc1cncc(C(=O)CNC(C)C)c1
InChIInChI=1S/C13H20N2O2/c1-4-5-17-12-6-11(7-14-8-12)13(16)9-15-10(2)3/h6-8,10,15H,4-5,9H2,1-3H3
InChIKeyDVLHIBFQHKLEEV-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.05
Rot. Bonds7

About 2-(propan-2-ylamino)-1-(5-propoxy-3-pyridinyl)ethanone

2-(propan-2-ylamino)-1-(5-propoxy-3-pyridinyl)ethanone (PubChem CID 116554859) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-1-(5-propoxy-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(propan-2-ylamino)-1-(5-propoxy-3-pyridinyl)ethanone
PubChem CID116554859
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(propan-2-ylamino)-1-(5-propoxy-3-pyridinyl)ethanone
SMILESCCCOc1cncc(C(=O)CNC(C)C)c1
InChIInChI=1S/C13H20N2O2/c1-4-5-17-12-6-11(7-14-8-12)13(16)9-15-10(2)3/h6-8,10,15H,4-5,9H2,1-3H3
InChIKeyDVLHIBFQHKLEEV-UHFFFAOYSA-N
XLogP2.05
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(propan-2-ylamino)-1-(5-propoxy-3-pyridinyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-(5-propoxy-3-pyridinyl)pentan-1-one
CID 115794017
4-hydroxy-1-(5-propoxy-3-pyridinyl)butan-1-one
CID 106677594
2,2-difluoro-1-(5-propoxy-3-pyridinyl)ethanone
CID 112574299
3-(aminomethyl)-5-methyl-1-(5-propoxy-3-pyridinyl)hexan-1-one
CID 116576849
2-(1-aminocyclobutyl)-1-(5-propoxy-3-pyridinyl)ethanone
CID 116591204
2-hydroxy-2-methyl-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 103446165
2-methyl-2-(methylamino)-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 116566359
3-(4-methylphenyl)-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 105124335
2-(azetidin-3-yl)-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 116680587
5-butoxypyridine-3-carboxylic acid
CID 63851154
1-(5-propoxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-one
CID 105124233
2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethanone
CID 116709111

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-1-(5-propoxy-3-pyridinyl)ethanone?
The IUPAC name of 2-(propan-2-ylamino)-1-(5-propoxy-3-pyridinyl)ethanone (CID 116554859) is 2-(propan-2-ylamino)-1-(5-propoxy-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(propan-2-ylamino)-1-(5-propoxy-3-pyridinyl)ethanone?
The canonical SMILES for 2-(propan-2-ylamino)-1-(5-propoxy-3-pyridinyl)ethanone is CCCOc1cncc(C(=O)CNC(C)C)c1.
What is the InChIKey of 2-(propan-2-ylamino)-1-(5-propoxy-3-pyridinyl)ethanone?
The InChIKey is DVLHIBFQHKLEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-5-17-12-6-11(7-14-8-12)13(16)9-15-10(2)3/h6-8,10,15H,4-5,9H2,1-3H3.
What are the key properties of 2-(propan-2-ylamino)-1-(5-propoxy-3-pyridinyl)ethanone?
2-(propan-2-ylamino)-1-(5-propoxy-3-pyridinyl)ethanone has a molecular weight of 236.31 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-1-(5-propoxy-3-pyridinyl)ethanone is sourced from PubChem (CID 116554859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).