dodecanoic acid;N-(6-methoxy-3-pyridinyl)cyclopropanecarboxamide

C22H36N2O4 — CID 14304482

IUPACdodecanoic acid;N-(6-methoxy-3-pyridinyl)cyclopropanecarboxamide
SMILESCCCCCCCCCCCC(=O)O.COc1ccc(NC(=O)C2CC2)cn1
InChIInChI=1S/C12H24O2.C10H12N2O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-14-9-5-4-8(6-11-9)12-10(13)7-2-3-7/h2-11H2,1H3,(H,13,14);4-7H,2-3H2,1H3,(H,12,13)
InChIKeyCWWXKUHOHSBFFZ-UHFFFAOYSA-N
MW392.54 g/mol
LogP5.43
Rot. Bonds13

About dodecanoic acid;N-(6-methoxy-3-pyridinyl)cyclopropanecarboxamide

dodecanoic acid;N-(6-methoxy-3-pyridinyl)cyclopropanecarboxamide (PubChem CID 14304482) has the molecular formula C22H36N2O4 and a molecular weight of 392.54 g/mol. Its IUPAC name is dodecanoic acid;N-(6-methoxy-3-pyridinyl)cyclopropanecarboxamide.

Molecular Properties

Compound Namedodecanoic acid;N-(6-methoxy-3-pyridinyl)cyclopropanecarboxamide
PubChem CID14304482
Molecular FormulaC22H36N2O4
Molecular Weight392.54 g/mol
Exact Mass392.27
IUPAC Namedodecanoic acid;N-(6-methoxy-3-pyridinyl)cyclopropanecarboxamide
SMILESCCCCCCCCCCCC(=O)O.COc1ccc(NC(=O)C2CC2)cn1
InChIInChI=1S/C12H24O2.C10H12N2O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-14-9-5-4-8(6-11-9)12-10(13)7-2-3-7/h2-11H2,1H3,(H,13,14);4-7H,2-3H2,1H3,(H,12,13)
InChIKeyCWWXKUHOHSBFFZ-UHFFFAOYSA-N
XLogP5.43
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.54
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[6-[2-[butyl(methyl)amino]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide
CID 53175000
N-(6-butoxy-3-pyridinyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630803
5-[(6-methoxy-3-pyridinyl)carbamoylamino]hexanoic acid
CID 82847806
trans-(1R,2R)-N-(6-methoxy-3-pyridinyl)-2-methylcyclopropane-1-carboxamide
CID 27646060
4-[(6-methoxy-3-pyridinyl)carbamoyl-propan-2-ylamino]butanoic acid
CID 61186550
(2S)-N-(6-methoxy-3-pyridinyl)oxolane-2-carboxamide
CID 34666491
N-[6-(propylamino)-3-pyridinyl]cyclopropanecarboxamide
CID 113009028
4-butoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 7478576
2-[(6-methoxy-3-pyridinyl)carbamoylamino]hexanoic acid
CID 61188738
N-[6-(4-fluorophenoxy)-3-pyridinyl]cyclopropanecarboxamide
CID 117059029
2-(cyclopropylamino)-N-(6-methoxy-3-pyridinyl)acetamide
CID 60688381
(1S,2R,4S)-N-(6-methoxy-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98641643

Frequently Asked Questions

What is the IUPAC name of dodecanoic acid;N-(6-methoxy-3-pyridinyl)cyclopropanecarboxamide?
The IUPAC name of dodecanoic acid;N-(6-methoxy-3-pyridinyl)cyclopropanecarboxamide (CID 14304482) is dodecanoic acid;N-(6-methoxy-3-pyridinyl)cyclopropanecarboxamide.
What is the SMILES notation for dodecanoic acid;N-(6-methoxy-3-pyridinyl)cyclopropanecarboxamide?
The canonical SMILES for dodecanoic acid;N-(6-methoxy-3-pyridinyl)cyclopropanecarboxamide is CCCCCCCCCCCC(=O)O.COc1ccc(NC(=O)C2CC2)cn1.
What is the InChIKey of dodecanoic acid;N-(6-methoxy-3-pyridinyl)cyclopropanecarboxamide?
The InChIKey is CWWXKUHOHSBFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2.C10H12N2O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-14-9-5-4-8(6-11-9)12-10(13)7-2-3-7/h2-11H2,1H3,(H,13,14);4-7H,2-3H2,1H3,(H,12,13).
What are the key properties of dodecanoic acid;N-(6-methoxy-3-pyridinyl)cyclopropanecarboxamide?
dodecanoic acid;N-(6-methoxy-3-pyridinyl)cyclopropanecarboxamide has a molecular weight of 392.54 g/mol, XLogP of 5.43, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dodecanoic acid;N-(6-methoxy-3-pyridinyl)cyclopropanecarboxamide is sourced from PubChem (CID 14304482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).