3-(cyclopropylamino)-1-(6-methyl-3-pyridinyl)propan-1-one

C12H16N2O — CID 116559219

IUPAC3-(cyclopropylamino)-1-(6-methyl-3-pyridinyl)propan-1-one
SMILESCc1ccc(C(=O)CCNC2CC2)cn1
InChIInChI=1S/C12H16N2O/c1-9-2-3-10(8-14-9)12(15)6-7-13-11-4-5-11/h2-3,8,11,13H,4-7H2,1H3
InChIKeyDWFJFPIELWBWNX-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.71
Rot. Bonds5

About 3-(cyclopropylamino)-1-(6-methyl-3-pyridinyl)propan-1-one

3-(cyclopropylamino)-1-(6-methyl-3-pyridinyl)propan-1-one (PubChem CID 116559219) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-(6-methyl-3-pyridinyl)propan-1-one.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-(6-methyl-3-pyridinyl)propan-1-one
PubChem CID116559219
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-(cyclopropylamino)-1-(6-methyl-3-pyridinyl)propan-1-one
SMILESCc1ccc(C(=O)CCNC2CC2)cn1
InChIInChI=1S/C12H16N2O/c1-9-2-3-10(8-14-9)12(15)6-7-13-11-4-5-11/h2-3,8,11,13H,4-7H2,1H3
InChIKeyDWFJFPIELWBWNX-UHFFFAOYSA-N
XLogP1.71
TPSA41.99 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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one
CID 94258396
3-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)propan-1-one
CID 94268189
1-(6-chloro-3-pyridinyl)-4-(6-methyl-3-pyridinyl)butane-1,4-dione
CID 90363391
1-(6-methyl-3-pyridinyl)-3-(oxan-2-yl)propan-1-one
CID 114971598
2-(methylamino)-1-(6-methyl-3-pyridinyl)ethanone
CID 82596607
trans-(1R,3R)-3-[(6-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318292
3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-one
CID 105098804
N-[3-[(cyclopropylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide
CID 106910952
3-(cyclopropylamino)-1-pyrazin-2-ylpropan-1-one
CID 116559359
N-[(6-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 43163855
tert-butyl N-[5-(6-methyl-3-pyridinyl)-5-oxopentyl]carbamate
CID 102539098
3-(cyclopropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one
CID 94266322

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-(6-methyl-3-pyridinyl)propan-1-one?
The IUPAC name of 3-(cyclopropylamino)-1-(6-methyl-3-pyridinyl)propan-1-one (CID 116559219) is 3-(cyclopropylamino)-1-(6-methyl-3-pyridinyl)propan-1-one.
What is the SMILES notation for 3-(cyclopropylamino)-1-(6-methyl-3-pyridinyl)propan-1-one?
The canonical SMILES for 3-(cyclopropylamino)-1-(6-methyl-3-pyridinyl)propan-1-one is Cc1ccc(C(=O)CCNC2CC2)cn1.
What is the InChIKey of 3-(cyclopropylamino)-1-(6-methyl-3-pyridinyl)propan-1-one?
The InChIKey is DWFJFPIELWBWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-2-3-10(8-14-9)12(15)6-7-13-11-4-5-11/h2-3,8,11,13H,4-7H2,1H3.
What are the key properties of 3-(cyclopropylamino)-1-(6-methyl-3-pyridinyl)propan-1-one?
3-(cyclopropylamino)-1-(6-methyl-3-pyridinyl)propan-1-one has a molecular weight of 204.27 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-(6-methyl-3-pyridinyl)propan-1-one is sourced from PubChem (CID 116559219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).