1-(2,4-dimethylphenyl)-2-(pyridin-3-ylmethylamino)propan-1-one

C17H20N2O — CID 82100550

IUPAC1-(2,4-dimethylphenyl)-2-(pyridin-3-ylmethylamino)propan-1-one
SMILESCc1ccc(C(=O)C(C)NCc2cccnc2)c(C)c1
InChIInChI=1S/C17H20N2O/c1-12-6-7-16(13(2)9-12)17(20)14(3)19-11-15-5-4-8-18-10-15/h4-10,14,19H,11H2,1-3H3
InChIKeyLDWHXFAXMBSXAT-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.06
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-2-(pyridin-3-ylmethylamino)propan-1-one

1-(2,4-dimethylphenyl)-2-(pyridin-3-ylmethylamino)propan-1-one (PubChem CID 82100550) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(pyridin-3-ylmethylamino)propan-1-one.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(pyridin-3-ylmethylamino)propan-1-one
PubChem CID82100550
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-(2,4-dimethylphenyl)-2-(pyridin-3-ylmethylamino)propan-1-one
SMILESCc1ccc(C(=O)C(C)NCc2cccnc2)c(C)c1
InChIInChI=1S/C17H20N2O/c1-12-6-7-16(13(2)9-12)17(20)14(3)19-11-15-5-4-8-18-10-15/h4-10,14,19H,11H2,1-3H3
InChIKeyLDWHXFAXMBSXAT-UHFFFAOYSA-N
XLogP3.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)propan-1-one
CID 82100549
1-(2-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)propan-1-one
CID 82101045
methyl (2S)-2-(pyridin-3-ylmethylamino)propanoate
CID 43723601
2-(pyridin-3-ylmethylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 82314932
(1R)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 28670989
4-(4-methylphenyl)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid
CID 4259090
1-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 78950275
2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62509197
N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 108984681
4-methyl-3-(pyridin-3-ylmethylamino)pentanoic acid
CID 83691362
1-(2,4-dimethylphenyl)-2-(3-methoxypropylamino)propan-1-one
CID 82100519
N-(2,4-dimethylphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191360

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(pyridin-3-ylmethylamino)propan-1-one?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(pyridin-3-ylmethylamino)propan-1-one (CID 82100550) is 1-(2,4-dimethylphenyl)-2-(pyridin-3-ylmethylamino)propan-1-one.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(pyridin-3-ylmethylamino)propan-1-one?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(pyridin-3-ylmethylamino)propan-1-one is Cc1ccc(C(=O)C(C)NCc2cccnc2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(pyridin-3-ylmethylamino)propan-1-one?
The InChIKey is LDWHXFAXMBSXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-6-7-16(13(2)9-12)17(20)14(3)19-11-15-5-4-8-18-10-15/h4-10,14,19H,11H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-(pyridin-3-ylmethylamino)propan-1-one?
1-(2,4-dimethylphenyl)-2-(pyridin-3-ylmethylamino)propan-1-one has a molecular weight of 268.36 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-(pyridin-3-ylmethylamino)propan-1-one is sourced from PubChem (CID 82100550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).