4-[[[6-(2-hydroxyethoxy)-3-pyridinyl]amino]methyl]benzonitrile

C15H15N3O2 — CID 109379854

IUPAC4-[[[6-(2-hydroxyethoxy)-3-pyridinyl]amino]methyl]benzonitrile
SMILESN#Cc1ccc(CNc2ccc(OCCO)nc2)cc1
InChIInChI=1S/C15H15N3O2/c16-9-12-1-3-13(4-2-12)10-17-14-5-6-15(18-11-14)20-8-7-19/h1-6,11,17,19H,7-8,10H2
InChIKeyLYFDELCKIQIWKK-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.94
Rot. Bonds6

About 4-[[[6-(2-hydroxyethoxy)-3-pyridinyl]amino]methyl]benzonitrile

4-[[[6-(2-hydroxyethoxy)-3-pyridinyl]amino]methyl]benzonitrile (PubChem CID 109379854) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-[[[6-(2-hydroxyethoxy)-3-pyridinyl]amino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[[6-(2-hydroxyethoxy)-3-pyridinyl]amino]methyl]benzonitrile
PubChem CID109379854
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name4-[[[6-(2-hydroxyethoxy)-3-pyridinyl]amino]methyl]benzonitrile
SMILESN#Cc1ccc(CNc2ccc(OCCO)nc2)cc1
InChIInChI=1S/C15H15N3O2/c16-9-12-1-3-13(4-2-12)10-17-14-5-6-15(18-11-14)20-8-7-19/h1-6,11,17,19H,7-8,10H2
InChIKeyLYFDELCKIQIWKK-UHFFFAOYSA-N
XLogP1.94
TPSA78.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-[[4-(dimethylamino)phenyl]methylamino]-2-pyridinyl]oxy]ethanol
CID 109379984
2-[[5-[(3-methoxy-4-methylphenyl)methylamino]-2-pyridinyl]oxy]ethanol
CID 99841271
2-[[5-[(3-fluoro-4-methoxyphenyl)methylamino]-2-pyridinyl]oxy]ethanol
CID 109379922
4-[(4-fluorophenyl)methylamino]benzonitrile
CID 22353725
4-[(4-hydroxyanilino)methyl]benzonitrile
CID 43742708
2-[[5-(furan-2-ylmethylamino)-2-pyridinyl]oxy]ethanol
CID 109379880
4-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]benzonitrile
CID 43675232
4-[[[6-(diethylamino)-3-pyridinyl]amino]methyl]benzonitrile
CID 43697331
2-[[5-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2-pyridinyl]oxy]ethanol
CID 109379967
2-[[5-[(3-chlorothiophen-2-yl)methylamino]-2-pyridinyl]oxy]ethanol
CID 99837201
2-[[5-[(2,4-dimethylphenyl)methylamino]-2-pyridinyl]oxy]ethanol
CID 109379933
4-(anilinomethyl)benzonitrile
CID 11148468

Frequently Asked Questions

What is the IUPAC name of 4-[[[6-(2-hydroxyethoxy)-3-pyridinyl]amino]methyl]benzonitrile?
The IUPAC name of 4-[[[6-(2-hydroxyethoxy)-3-pyridinyl]amino]methyl]benzonitrile (CID 109379854) is 4-[[[6-(2-hydroxyethoxy)-3-pyridinyl]amino]methyl]benzonitrile.
What is the SMILES notation for 4-[[[6-(2-hydroxyethoxy)-3-pyridinyl]amino]methyl]benzonitrile?
The canonical SMILES for 4-[[[6-(2-hydroxyethoxy)-3-pyridinyl]amino]methyl]benzonitrile is N#Cc1ccc(CNc2ccc(OCCO)nc2)cc1.
What is the InChIKey of 4-[[[6-(2-hydroxyethoxy)-3-pyridinyl]amino]methyl]benzonitrile?
The InChIKey is LYFDELCKIQIWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c16-9-12-1-3-13(4-2-12)10-17-14-5-6-15(18-11-14)20-8-7-19/h1-6,11,17,19H,7-8,10H2.
What are the key properties of 4-[[[6-(2-hydroxyethoxy)-3-pyridinyl]amino]methyl]benzonitrile?
4-[[[6-(2-hydroxyethoxy)-3-pyridinyl]amino]methyl]benzonitrile has a molecular weight of 269.30 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[6-(2-hydroxyethoxy)-3-pyridinyl]amino]methyl]benzonitrile is sourced from PubChem (CID 109379854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).