3-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile

C14H15N3O — CID 62918891

IUPAC3-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile
SMILESCCN(Cc1ccco1)Cc1cccnc1C#N
InChIInChI=1S/C14H15N3O/c1-2-17(11-13-6-4-8-18-13)10-12-5-3-7-16-14(12)9-15/h3-8H,2,10-11H2,1H3
InChIKeyADAHFJPPGVESHS-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.57
Rot. Bonds5

About 3-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile

3-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile (PubChem CID 62918891) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile
PubChem CID62918891
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name3-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile
SMILESCCN(Cc1ccco1)Cc1cccnc1C#N
InChIInChI=1S/C14H15N3O/c1-2-17(11-13-6-4-8-18-13)10-12-5-3-7-16-14(12)9-15/h3-8H,2,10-11H2,1H3
InChIKeyADAHFJPPGVESHS-UHFFFAOYSA-N
XLogP2.57
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[ethyl(furan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine
CID 62465389
4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-methylbenzonitrile
CID 114481043
3-[ethyl(furan-2-ylmethyl)amino]-2-methylpropanenitrile
CID 61423405
2-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridin-4-amine
CID 79245146
N-ethyl-2-[2-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]ethanamine
CID 115463985
N-ethyl-N-(furan-2-ylmethyl)prop-2-yn-1-amine
CID 60970119
4-chloro-2-[[ethyl(furan-2-ylmethyl)amino]methyl]aniline
CID 79582941
3-(bromomethyl)pyridine-2-carbonitrile;hydrobromide
CID 121231605
3-(2-oxopropyl)pyridine-2-carbonitrile
CID 69171955
[2-[furan-2-ylmethyl(methyl)amino]-3-pyridinyl]methanol
CID 61255618
4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-fluoroaniline
CID 64770417
N'-ethyl-N'-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 62557722

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile (CID 62918891) is 3-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile is CCN(Cc1ccco1)Cc1cccnc1C#N.
What is the InChIKey of 3-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile?
The InChIKey is ADAHFJPPGVESHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-2-17(11-13-6-4-8-18-13)10-12-5-3-7-16-14(12)9-15/h3-8H,2,10-11H2,1H3.
What are the key properties of 3-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile?
3-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile has a molecular weight of 241.29 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62918891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).