3-[(cyclopropylamino)methyl]-6-(2,5-dimethylphenyl)-1H-pyridin-2-one

C17H20N2O — CID 82519976

IUPAC3-[(cyclopropylamino)methyl]-6-(2,5-dimethylphenyl)-1H-pyridin-2-one
SMILESCc1ccc(C)c(-c2ccc(CNC3CC3)c(=O)[nH]2)c1
InChIInChI=1S/C17H20N2O/c1-11-3-4-12(2)15(9-11)16-8-5-13(17(20)19-16)10-18-14-6-7-14/h3-5,8-9,14,18H,6-7,10H2,1-2H3,(H,19,20)
InChIKeyPQEPZIBDVJVIJL-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.91
Rot. Bonds4

About 3-[(cyclopropylamino)methyl]-6-(2,5-dimethylphenyl)-1H-pyridin-2-one

3-[(cyclopropylamino)methyl]-6-(2,5-dimethylphenyl)-1H-pyridin-2-one (PubChem CID 82519976) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-6-(2,5-dimethylphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-6-(2,5-dimethylphenyl)-1H-pyridin-2-one
PubChem CID82519976
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-[(cyclopropylamino)methyl]-6-(2,5-dimethylphenyl)-1H-pyridin-2-one
SMILESCc1ccc(C)c(-c2ccc(CNC3CC3)c(=O)[nH]2)c1
InChIInChI=1S/C17H20N2O/c1-11-3-4-12(2)15(9-11)16-8-5-13(17(20)19-16)10-18-14-6-7-14/h3-5,8-9,14,18H,6-7,10H2,1-2H3,(H,19,20)
InChIKeyPQEPZIBDVJVIJL-UHFFFAOYSA-N
XLogP2.91
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
CID 79485255
3-[(cyclopentylamino)methyl]-7-methyl-1H-quinolin-2-one
CID 863818
3-[(cyclopentylamino)methyl]-6-methyl-1H-quinolin-2-one
CID 863819
N-[[2-(3,5-dichlorophenyl)-4-methylphenyl]methyl]cyclopropanamine
CID 114879196
3-[(cyclopropylamino)methyl]-6-(4-nitrophenyl)-1H-pyridin-2-one
CID 82517035
3-[(cyclopropylamino)methyl]-6-(2,4-dimethylphenyl)-1-propylpyridin-2-one
CID 82520275
N-[(2-ethenyl-4-methylphenyl)methyl]cyclopropanamine
CID 107430275
N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine
CID 106862588
ethyl 4-[(2,4-dimethylphenyl)methylamino]cyclohexane-1-carboxylate
CID 60934439
N-[[4-bromo-2-(2,5-dimethylphenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 63806540
N-[[4-(2,4-dimethylphenyl)sulfanyl-2-methylphenyl]methyl]cyclopropanamine
CID 63804914
N-[[4-(2,5-dimethylphenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81254386

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-6-(2,5-dimethylphenyl)-1H-pyridin-2-one?
The IUPAC name of 3-[(cyclopropylamino)methyl]-6-(2,5-dimethylphenyl)-1H-pyridin-2-one (CID 82519976) is 3-[(cyclopropylamino)methyl]-6-(2,5-dimethylphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-6-(2,5-dimethylphenyl)-1H-pyridin-2-one?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-6-(2,5-dimethylphenyl)-1H-pyridin-2-one is Cc1ccc(C)c(-c2ccc(CNC3CC3)c(=O)[nH]2)c1.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-6-(2,5-dimethylphenyl)-1H-pyridin-2-one?
The InChIKey is PQEPZIBDVJVIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-11-3-4-12(2)15(9-11)16-8-5-13(17(20)19-16)10-18-14-6-7-14/h3-5,8-9,14,18H,6-7,10H2,1-2H3,(H,19,20).
What are the key properties of 3-[(cyclopropylamino)methyl]-6-(2,5-dimethylphenyl)-1H-pyridin-2-one?
3-[(cyclopropylamino)methyl]-6-(2,5-dimethylphenyl)-1H-pyridin-2-one has a molecular weight of 268.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-6-(2,5-dimethylphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 82519976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).