1-naphthalen-2-yl-3-(pyridin-3-ylmethylamino)propan-2-one

C19H18N2O — CID 158615448

IUPAC1-naphthalen-2-yl-3-(pyridin-3-ylmethylamino)propan-2-one
SMILESO=C(CNCc1cccnc1)Cc1ccc2ccccc2c1
InChIInChI=1S/C19H18N2O/c22-19(14-21-13-16-4-3-9-20-12-16)11-15-7-8-17-5-1-2-6-18(17)10-15/h1-10,12,21H,11,13-14H2
InChIKeyQFEBOJPYVBSBHW-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.14
Rot. Bonds6

About 1-naphthalen-2-yl-3-(pyridin-3-ylmethylamino)propan-2-one

1-naphthalen-2-yl-3-(pyridin-3-ylmethylamino)propan-2-one (PubChem CID 158615448) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-naphthalen-2-yl-3-(pyridin-3-ylmethylamino)propan-2-one.

Molecular Properties

Compound Name1-naphthalen-2-yl-3-(pyridin-3-ylmethylamino)propan-2-one
PubChem CID158615448
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name1-naphthalen-2-yl-3-(pyridin-3-ylmethylamino)propan-2-one
SMILESO=C(CNCc1cccnc1)Cc1ccc2ccccc2c1
InChIInChI=1S/C19H18N2O/c22-19(14-21-13-16-4-3-9-20-12-16)11-15-7-8-17-5-1-2-6-18(17)10-15/h1-10,12,21H,11,13-14H2
InChIKeyQFEBOJPYVBSBHW-UHFFFAOYSA-N
XLogP3.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chlorophenyl)methylamino]-3-isoquinolin-6-ylpropan-2-one
CID 58367625
1-(3-chloro-4-pyridinyl)-3-naphthalen-2-ylpropan-2-one
CID 105107606
3-methyl-1-(pyridin-3-ylmethylamino)butan-2-one;molecular hydrogen
CID 143466705
oxalic acid;N-phenyl-2-(pyridin-3-ylmethylamino)acetamide
CID 175652905
1-isoquinolin-6-yl-4-phenylbutan-2-one
CID 58367623
1-(3,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-one
CID 55096177
2-bromo-N-(pyridin-3-ylmethyl)prop-2-en-1-amine
CID 60874327
2-naphthalen-2-yl-N-pyridin-4-ylacetamide
CID 25336159
1-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-2-one
CID 62551189
2-naphthalen-2-yl-3-pyridin-3-yl-2-(pyridin-3-ylmethylamino)propanamide
CID 142792047
1-(4-aminophenyl)-2-(pyridin-3-ylmethylamino)ethanone
CID 82258214
1-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)ethanone
CID 82101488

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-3-(pyridin-3-ylmethylamino)propan-2-one?
The IUPAC name of 1-naphthalen-2-yl-3-(pyridin-3-ylmethylamino)propan-2-one (CID 158615448) is 1-naphthalen-2-yl-3-(pyridin-3-ylmethylamino)propan-2-one.
What is the SMILES notation for 1-naphthalen-2-yl-3-(pyridin-3-ylmethylamino)propan-2-one?
The canonical SMILES for 1-naphthalen-2-yl-3-(pyridin-3-ylmethylamino)propan-2-one is O=C(CNCc1cccnc1)Cc1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-yl-3-(pyridin-3-ylmethylamino)propan-2-one?
The InChIKey is QFEBOJPYVBSBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c22-19(14-21-13-16-4-3-9-20-12-16)11-15-7-8-17-5-1-2-6-18(17)10-15/h1-10,12,21H,11,13-14H2.
What are the key properties of 1-naphthalen-2-yl-3-(pyridin-3-ylmethylamino)propan-2-one?
1-naphthalen-2-yl-3-(pyridin-3-ylmethylamino)propan-2-one has a molecular weight of 290.37 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-3-(pyridin-3-ylmethylamino)propan-2-one is sourced from PubChem (CID 158615448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).