4-amino-4-cyclopropyl-1-pyridin-4-ylbutan-2-one

C12H16N2O — CID 116608929

IUPAC4-amino-4-cyclopropyl-1-pyridin-4-ylbutan-2-one
SMILESNC(CC(=O)Cc1ccncc1)C1CC1
InChIInChI=1S/C12H16N2O/c13-12(10-1-2-10)8-11(15)7-9-3-5-14-6-4-9/h3-6,10,12H,1-2,7-8,13H2
InChIKeyCIXZUJVJBDATDN-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.32
Rot. Bonds5

About 4-amino-4-cyclopropyl-1-pyridin-4-ylbutan-2-one

4-amino-4-cyclopropyl-1-pyridin-4-ylbutan-2-one (PubChem CID 116608929) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-amino-4-cyclopropyl-1-pyridin-4-ylbutan-2-one.

Molecular Properties

Compound Name4-amino-4-cyclopropyl-1-pyridin-4-ylbutan-2-one
PubChem CID116608929
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name4-amino-4-cyclopropyl-1-pyridin-4-ylbutan-2-one
SMILESNC(CC(=O)Cc1ccncc1)C1CC1
InChIInChI=1S/C12H16N2O/c13-12(10-1-2-10)8-11(15)7-9-3-5-14-6-4-9/h3-6,10,12H,1-2,7-8,13H2
InChIKeyCIXZUJVJBDATDN-UHFFFAOYSA-N
XLogP1.32
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-amino-4-cyclopropyl-1-pyridin-4-ylbutan-2-one 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

4-amino-4-cyclopropyl-1-(furan-3-yl)butan-2-one
CID 116608872
1-[4-[(1R)-1-aminoethyl]cyclohexyl]-2-pyridin-4-ylethanone
CID 58040940
4-amino-1-(4-chloro-2-fluorophenyl)-4-cyclopropylbutan-2-one
CID 114863568
4-amino-1-(2-bromo-5-fluorophenyl)-4-cyclopropylbutan-2-one
CID 116608732
3-amino-3-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]propanamide
CID 114700236
5-amino-1-pyridin-4-ylpentan-2-one
CID 116553409
4-amino-1-(4-bromothiophen-2-yl)-4-cyclopropylbutan-2-one
CID 116608847
1-cyclobutyl-3-pyridin-4-ylpropan-1-amine
CID 105187569
2-cyclopropyl-3-pyridin-4-ylpropanoic acid
CID 83829716
1-(oxan-4-yl)-3-pyridin-4-ylpropan-2-one
CID 62622675
ethyl 3-cyclopropyl-3-(pyridin-4-ylmethylamino)propanoate
CID 134162113
1-amino-1-cyclopropyl-5-methylhexan-3-one
CID 116608690

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-cyclopropyl-1-pyridin-4-ylbutan-2-one?
The IUPAC name of 4-amino-4-cyclopropyl-1-pyridin-4-ylbutan-2-one (CID 116608929) is 4-amino-4-cyclopropyl-1-pyridin-4-ylbutan-2-one.
What is the SMILES notation for 4-amino-4-cyclopropyl-1-pyridin-4-ylbutan-2-one?
The canonical SMILES for 4-amino-4-cyclopropyl-1-pyridin-4-ylbutan-2-one is NC(CC(=O)Cc1ccncc1)C1CC1.
What is the InChIKey of 4-amino-4-cyclopropyl-1-pyridin-4-ylbutan-2-one?
The InChIKey is CIXZUJVJBDATDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c13-12(10-1-2-10)8-11(15)7-9-3-5-14-6-4-9/h3-6,10,12H,1-2,7-8,13H2.
What are the key properties of 4-amino-4-cyclopropyl-1-pyridin-4-ylbutan-2-one?
4-amino-4-cyclopropyl-1-pyridin-4-ylbutan-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-cyclopropyl-1-pyridin-4-ylbutan-2-one is sourced from PubChem (CID 116608929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).