2-[benzyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile

C15H15N3O — CID 62115648

IUPAC2-[benzyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N(CCO)Cc2ccccc2)c1
InChIInChI=1S/C15H15N3O/c16-11-14-6-7-17-15(10-14)18(8-9-19)12-13-4-2-1-3-5-13/h1-7,10,19H,8-9,12H2
InChIKeyBHPKIJJDTSAQCV-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.95
Rot. Bonds5

About 2-[benzyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile

2-[benzyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile (PubChem CID 62115648) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[benzyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[benzyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile
PubChem CID62115648
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2-[benzyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N(CCO)Cc2ccccc2)c1
InChIInChI=1S/C15H15N3O/c16-11-14-6-7-17-15(10-14)18(8-9-19)12-13-4-2-1-3-5-13/h1-7,10,19H,8-9,12H2
InChIKeyBHPKIJJDTSAQCV-UHFFFAOYSA-N
XLogP1.95
TPSA60.15 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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[benzyl(2-hydroxyethyl)amino]-3-chlorobenzonitrile
CID 63092619
2-[benzyl(2-hydroxyethyl)amino]-3-chloropyridine-4-carbonitrile
CID 107057524
2-(dipropylamino)pyridine-4-carbonitrile
CID 14640854
2-[(2-aminophenyl)methyl-propylamino]pyridine-4-carbonitrile
CID 60877236
2-[(2-aminophenyl)methyl-ethylamino]pyridine-4-carbonitrile
CID 60876115
2-[butyl(ethyl)amino]pyridine-4-carbonitrile
CID 24696203
2-[[4-(aminomethyl)pyrimidin-2-yl]-benzylamino]ethanol
CID 107541913
2-amino-5-[benzyl(2-hydroxyethyl)amino]benzonitrile
CID 115499378
2-[benzyl(2-hydroxyethyl)amino]-4-bromobenzonitrile
CID 114901754
3-[benzyl-(4-methyl-2-pyridinyl)amino]propanoic acid
CID 82317310
2-[3-(diethylamino)propyl-ethylamino]pyridine-4-carbonitrile
CID 102993231
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile
CID 79390747

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 2-[benzyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile (CID 62115648) is 2-[benzyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[benzyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[benzyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile is N#Cc1ccnc(N(CCO)Cc2ccccc2)c1.
What is the InChIKey of 2-[benzyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile?
The InChIKey is BHPKIJJDTSAQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-11-14-6-7-17-15(10-14)18(8-9-19)12-13-4-2-1-3-5-13/h1-7,10,19H,8-9,12H2.
What are the key properties of 2-[benzyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile?
2-[benzyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile has a molecular weight of 253.31 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 62115648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).