1-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)imino]propan-1-one

C16H16N2O2 — CID 91899582

IUPAC1-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)imino]propan-1-one
SMILESCOc1ccc(C(=O)C/C=N/c2cc(C)ccn2)cc1
InChIInChI=1S/C16H16N2O2/c1-12-7-9-17-16(11-12)18-10-8-15(19)13-3-5-14(20-2)6-4-13/h3-7,9-11H,8H2,1-2H3/b18-10+
InChIKeyNTLCODYJXMHWHY-VCHYOVAHSA-N
MW268.32 g/mol
LogP3.37
Rot. Bonds5

About 1-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)imino]propan-1-one

1-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)imino]propan-1-one (PubChem CID 91899582) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)imino]propan-1-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)imino]propan-1-one
PubChem CID91899582
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)imino]propan-1-one
SMILESCOc1ccc(C(=O)C/C=N/c2cc(C)ccn2)cc1
InChIInChI=1S/C16H16N2O2/c1-12-7-9-17-16(11-12)18-10-8-15(19)13-3-5-14(20-2)6-4-13/h3-7,9-11H,8H2,1-2H3/b18-10+
InChIKeyNTLCODYJXMHWHY-VCHYOVAHSA-N
XLogP3.37
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(3E)-1-(4-methylphenyl)-3-pyridin-2-yliminopropan-1-one
CID 91896388
3-(2,4-dimethoxyphenyl)imino-1-(4-methylphenyl)propan-1-one
CID 7208289
4-[[3-(4-methoxyphenyl)-3-oxopropylidene]amino]benzoic acid
CID 7584169
methyl 2-[[3-(4-methoxyphenyl)-3-oxopropylidene]amino]benzoate
CID 4062869
1-(4-methylphenyl)-3-(3-methylphenyl)iminopropan-1-one
CID 4131662
1-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)amino]but-2-en-1-one
CID 23738501
3-[(4-fluorophenyl)methylimino]-1-(4-methoxyphenyl)propan-1-one
CID 7119778
N-[2-[2-(4-methoxyphenyl)-2-oxoethoxy]-5-methylphenyl]acetamide
CID 2728500
3-(4-methoxyphenyl)-N-methyl-3-oxopropan-1-imine oxide
CID 10035920
1-(4-bromophenyl)-3-(2,4-dimethylphenyl)iminopropan-1-one
CID 4558822
3-(3,4-dimethylphenyl)imino-1-(4-methylphenyl)propan-1-one
CID 4127588
ethane;N-hydroxy-N'-(4-methyl-2-pyridinyl)methanimidamide
CID 170575859

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)imino]propan-1-one?
The IUPAC name of 1-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)imino]propan-1-one (CID 91899582) is 1-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)imino]propan-1-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)imino]propan-1-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)imino]propan-1-one is COc1ccc(C(=O)C/C=N/c2cc(C)ccn2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)imino]propan-1-one?
The InChIKey is NTLCODYJXMHWHY-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-12-7-9-17-16(11-12)18-10-8-15(19)13-3-5-14(20-2)6-4-13/h3-7,9-11H,8H2,1-2H3/b18-10+.
What are the key properties of 1-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)imino]propan-1-one?
1-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)imino]propan-1-one has a molecular weight of 268.32 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)imino]propan-1-one is sourced from PubChem (CID 91899582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).