1-[2-(3-methoxyanilino)-3-pyridinyl]-2-methylpropan-1-one

C16H18N2O2 — CID 54313685

IUPAC1-[2-(3-methoxyanilino)-3-pyridinyl]-2-methylpropan-1-one
SMILESCOc1cccc(Nc2ncccc2C(=O)C(C)C)c1
InChIInChI=1S/C16H18N2O2/c1-11(2)15(19)14-8-5-9-17-16(14)18-12-6-4-7-13(10-12)20-3/h4-11H,1-3H3,(H,17,18)
InChIKeyMQJYKKWTXDGKCS-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.67
Rot. Bonds5

About 1-[2-(3-methoxyanilino)-3-pyridinyl]-2-methylpropan-1-one

1-[2-(3-methoxyanilino)-3-pyridinyl]-2-methylpropan-1-one (PubChem CID 54313685) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[2-(3-methoxyanilino)-3-pyridinyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[2-(3-methoxyanilino)-3-pyridinyl]-2-methylpropan-1-one
PubChem CID54313685
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-[2-(3-methoxyanilino)-3-pyridinyl]-2-methylpropan-1-one
SMILESCOc1cccc(Nc2ncccc2C(=O)C(C)C)c1
InChIInChI=1S/C16H18N2O2/c1-11(2)15(19)14-8-5-9-17-16(14)18-12-6-4-7-13(10-12)20-3/h4-11H,1-3H3,(H,17,18)
InChIKeyMQJYKKWTXDGKCS-UHFFFAOYSA-N
XLogP3.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-2-(3-methoxyanilino)pyridine-3-carboxamide
CID 23632783
2-(3-methoxyanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632895
2-(2-fluoroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 23632516
methyl 2-(3-fluoro-5-methoxyanilino)pyridine-3-carboxylate;methyl 2-fluoropyridine-3-carboxylate
CID 162265180
N-(3-methoxyphenyl)-2-(propylamino)pyridine-3-carboxamide
CID 62166611
[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-[2-(3-methoxyanilino)-3-pyridinyl]methanone
CID 46974434
1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea
CID 108869136
[4-(3-methoxyphenyl)piperazin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 38602896
2-(3-fluoroanilino)-N-methoxypyridine-3-carboxamide
CID 47246328
3-(3-methoxyanilino)pyrazine-2-carbonitrile
CID 62685033
2-[3-[(2-propan-2-ylphenyl)methyl]anilino]pyridine-3-carboxylic acid
CID 155134049
1-[2-(3-methoxyanilino)pyridine-3-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110151518

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyanilino)-3-pyridinyl]-2-methylpropan-1-one?
The IUPAC name of 1-[2-(3-methoxyanilino)-3-pyridinyl]-2-methylpropan-1-one (CID 54313685) is 1-[2-(3-methoxyanilino)-3-pyridinyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[2-(3-methoxyanilino)-3-pyridinyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[2-(3-methoxyanilino)-3-pyridinyl]-2-methylpropan-1-one is COc1cccc(Nc2ncccc2C(=O)C(C)C)c1.
What is the InChIKey of 1-[2-(3-methoxyanilino)-3-pyridinyl]-2-methylpropan-1-one?
The InChIKey is MQJYKKWTXDGKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11(2)15(19)14-8-5-9-17-16(14)18-12-6-4-7-13(10-12)20-3/h4-11H,1-3H3,(H,17,18).
What are the key properties of 1-[2-(3-methoxyanilino)-3-pyridinyl]-2-methylpropan-1-one?
1-[2-(3-methoxyanilino)-3-pyridinyl]-2-methylpropan-1-one has a molecular weight of 270.33 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyanilino)-3-pyridinyl]-2-methylpropan-1-one is sourced from PubChem (CID 54313685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).