4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]pyridine-2-carbonitrile

C15H17N3O — CID 63881345

IUPAC4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]pyridine-2-carbonitrile
SMILESCc1cc(C(C)NCc2ccnc(C#N)c2)c(C)o1
InChIInChI=1S/C15H17N3O/c1-10-6-15(12(3)19-10)11(2)18-9-13-4-5-17-14(7-13)8-16/h4-7,11,18H,9H2,1-3H3
InChIKeyFJNRHQXMIXWAAF-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.01
Rot. Bonds4

About 4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]pyridine-2-carbonitrile

4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]pyridine-2-carbonitrile (PubChem CID 63881345) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]pyridine-2-carbonitrile
PubChem CID63881345
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]pyridine-2-carbonitrile
SMILESCc1cc(C(C)NCc2ccnc(C#N)c2)c(C)o1
InChIInChI=1S/C15H17N3O/c1-10-6-15(12(3)19-10)11(2)18-9-13-4-5-17-14(7-13)8-16/h4-7,11,18H,9H2,1-3H3
InChIKeyFJNRHQXMIXWAAF-UHFFFAOYSA-N
XLogP3.01
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(but-3-yn-2-ylamino)methyl]pyridine-2-carbonitrile
CID 114416679
4-[(3,3-dimethylbutan-2-ylamino)methyl]pyridine-2-carbonitrile
CID 115752803
1-(2,5-dimethylfuran-3-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 81171094
4-[(4-phenylbutan-2-ylamino)methyl]pyridine-2-carbonitrile
CID 63882521
4-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]pyridine-2-carbonitrile
CID 63883285
methyl 2-[(2-cyano-4-pyridinyl)methylamino]propanoate
CID 63880745
4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]pyridine-2-carbonitrile
CID 63882119
3-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-2-fluorobenzonitrile
CID 104579159
4-[(2-methylpropoxyamino)methyl]pyridine-2-carbonitrile
CID 82715637
4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 63882717
2-[(2-cyano-4-pyridinyl)methylamino]-N-propylpropanamide
CID 63883092
4-[(4-methylanilino)methyl]pyridine-2-carbonitrile
CID 63882858

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]pyridine-2-carbonitrile (CID 63881345) is 4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]pyridine-2-carbonitrile is Cc1cc(C(C)NCc2ccnc(C#N)c2)c(C)o1.
What is the InChIKey of 4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]pyridine-2-carbonitrile?
The InChIKey is FJNRHQXMIXWAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-6-15(12(3)19-10)11(2)18-9-13-4-5-17-14(7-13)8-16/h4-7,11,18H,9H2,1-3H3.
What are the key properties of 4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]pyridine-2-carbonitrile?
4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]pyridine-2-carbonitrile has a molecular weight of 255.32 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63881345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).