3-[(2-ethoxyanilino)methyl]pyridine-2-carbonitrile

C15H15N3O — CID 55128443

IUPAC3-[(2-ethoxyanilino)methyl]pyridine-2-carbonitrile
SMILESCCOc1ccccc1NCc1cccnc1C#N
InChIInChI=1S/C15H15N3O/c1-2-19-15-8-4-3-7-13(15)18-11-12-6-5-9-17-14(12)10-16/h3-9,18H,2,11H2,1H3
InChIKeyHMEGSEFKBUBBAT-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.96
Rot. Bonds5

About 3-[(2-ethoxyanilino)methyl]pyridine-2-carbonitrile

3-[(2-ethoxyanilino)methyl]pyridine-2-carbonitrile (PubChem CID 55128443) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-[(2-ethoxyanilino)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(2-ethoxyanilino)methyl]pyridine-2-carbonitrile
PubChem CID55128443
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name3-[(2-ethoxyanilino)methyl]pyridine-2-carbonitrile
SMILESCCOc1ccccc1NCc1cccnc1C#N
InChIInChI=1S/C15H15N3O/c1-2-19-15-8-4-3-7-13(15)18-11-12-6-5-9-17-14(12)10-16/h3-9,18H,2,11H2,1H3
InChIKeyHMEGSEFKBUBBAT-UHFFFAOYSA-N
XLogP2.96
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(trifluoromethoxy)anilino]methyl]pyridine-2-carbonitrile
CID 62895868
2-ethoxy-N-(quinolin-8-ylmethyl)aniline
CID 28612848
3-[(4-cyano-2-methoxyanilino)methyl]pyridine-2-carbonitrile
CID 104848705
2-[(2-ethoxyanilino)methyl]aniline
CID 66385823
3-[(2,4-difluoroanilino)methyl]pyridine-2-carbonitrile
CID 55128109
3-[(2,3,4-trifluoroanilino)methyl]pyridine-2-carbonitrile
CID 62895867
5-[(2-ethoxyanilino)methyl]thiophene-2-carbonitrile
CID 113250104
5-[(2-ethoxyanilino)methyl]-2-methoxybenzonitrile
CID 65336194
3-[[2-ethoxy-6-(hydroxymethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62894945
3-[[2-(propylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62888578
3-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile
CID 62894169
3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]pyridine-2-carbonitrile
CID 62895390

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxyanilino)methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[(2-ethoxyanilino)methyl]pyridine-2-carbonitrile (CID 55128443) is 3-[(2-ethoxyanilino)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(2-ethoxyanilino)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(2-ethoxyanilino)methyl]pyridine-2-carbonitrile is CCOc1ccccc1NCc1cccnc1C#N.
What is the InChIKey of 3-[(2-ethoxyanilino)methyl]pyridine-2-carbonitrile?
The InChIKey is HMEGSEFKBUBBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-2-19-15-8-4-3-7-13(15)18-11-12-6-5-9-17-14(12)10-16/h3-9,18H,2,11H2,1H3.
What are the key properties of 3-[(2-ethoxyanilino)methyl]pyridine-2-carbonitrile?
3-[(2-ethoxyanilino)methyl]pyridine-2-carbonitrile has a molecular weight of 253.31 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxyanilino)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 55128443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).