5-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]furan-2-carbonitrile

C14H15N3O3 — CID 115748697

IUPAC5-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]furan-2-carbonitrile
SMILESCOCCOc1ccc(NCc2ccc(C#N)o2)cn1
InChIInChI=1S/C14H15N3O3/c1-18-6-7-19-14-5-2-11(9-17-14)16-10-13-4-3-12(8-15)20-13/h2-5,9,16H,6-7,10H2,1H3
InChIKeyZVFVLYUCMZUOGK-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.18
Rot. Bonds7

About 5-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]furan-2-carbonitrile

5-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]furan-2-carbonitrile (PubChem CID 115748697) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 5-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]furan-2-carbonitrile
PubChem CID115748697
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name5-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]furan-2-carbonitrile
SMILESCOCCOc1ccc(NCc2ccc(C#N)o2)cn1
InChIInChI=1S/C14H15N3O3/c1-18-6-7-19-14-5-2-11(9-17-14)16-10-13-4-3-12(8-15)20-13/h2-5,9,16H,6-7,10H2,1H3
InChIKeyZVFVLYUCMZUOGK-UHFFFAOYSA-N
XLogP2.18
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]thiophene-2-carbonitrile
CID 115748695
N-[4-[(5-cyanofuran-2-yl)methylamino]phenyl]-2-methoxyacetamide
CID 115652546
5-[(2-methoxyethylamino)methyl]furan-2-carbonitrile
CID 115651300
6-(2-methoxyethoxy)-N-prop-2-ynylpyridin-3-amine
CID 63951273
5-[(2-methoxyanilino)methyl]furan-2-carbonitrile
CID 115742740
5-[(4-bromoanilino)methyl]furan-2-carbonitrile
CID 115909240
5-[(3,4-diethoxyanilino)methyl]furan-2-carbonitrile
CID 115671135
5-[(pyridin-3-ylamino)methyl]furan-2-carbonitrile
CID 115692616
N-[(2,6-difluorophenyl)methyl]-6-(2-methoxyethoxy)pyridin-3-amine
CID 43688333
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(2-methoxyethoxy)pyridin-3-amine
CID 79578632
N-[(2-ethylpyrazol-3-yl)methyl]-6-(2-methoxyethoxy)pyridin-3-amine
CID 115762828
N-(3,3-dimethylbutyl)-6-(2-methoxyethoxy)pyridin-3-amine
CID 62950387

Frequently Asked Questions

What is the IUPAC name of 5-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]furan-2-carbonitrile (CID 115748697) is 5-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]furan-2-carbonitrile is COCCOc1ccc(NCc2ccc(C#N)o2)cn1.
What is the InChIKey of 5-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]furan-2-carbonitrile?
The InChIKey is ZVFVLYUCMZUOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-18-6-7-19-14-5-2-11(9-17-14)16-10-13-4-3-12(8-15)20-13/h2-5,9,16H,6-7,10H2,1H3.
What are the key properties of 5-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]furan-2-carbonitrile?
5-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]furan-2-carbonitrile has a molecular weight of 273.29 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 115748697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).