3-[[(2,2-diethyl-4-hydroxybutyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile

C17H24N4O — CID 111498712

IUPAC3-[[(2,2-diethyl-4-hydroxybutyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
SMILESCCC(CC)(CCO)CNCc1cnc2ccc(C#N)cn12
InChIInChI=1S/C17H24N4O/c1-3-17(4-2,7-8-22)13-19-10-15-11-20-16-6-5-14(9-18)12-21(15)16/h5-6,11-12,19,22H,3-4,7-8,10,13H2,1-2H3
InChIKeyVLGSREOOBFRXNT-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.48
Rot. Bonds8

About 3-[[(2,2-diethyl-4-hydroxybutyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile

3-[[(2,2-diethyl-4-hydroxybutyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile (PubChem CID 111498712) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 3-[[(2,2-diethyl-4-hydroxybutyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-[[(2,2-diethyl-4-hydroxybutyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
PubChem CID111498712
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name3-[[(2,2-diethyl-4-hydroxybutyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
SMILESCCC(CC)(CCO)CNCc1cnc2ccc(C#N)cn12
InChIInChI=1S/C17H24N4O/c1-3-17(4-2,7-8-22)13-19-10-15-11-20-16-6-5-14(9-18)12-21(15)16/h5-6,11-12,19,22H,3-4,7-8,10,13H2,1-2H3
InChIKeyVLGSREOOBFRXNT-UHFFFAOYSA-N
XLogP2.48
TPSA73.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(3-hydroxypropylsulfanyl)ethylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 111434688
3-[[(3-hydroxy-4-methylpentyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 111468076
4-[(6-cyanoimidazo[1,2-a]pyridin-3-yl)methylamino]-N,N-diethylbutanamide
CID 119136123
2,2,4-trimethyl-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]pentan-3-ol
CID 109380142
3-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 111434676
3-[[[4-(2-methylpropyl)morpholin-2-yl]methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 119136092
3-[[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 119136114
3-[[1-(4-hydroxyphenyl)propan-2-yl-methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 167919790
(2R)-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]propan-2-ol
CID 103884204
3-[[[(3S,4S)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 166355076
2-methyl-N-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]propan-2-amine
CID 115747139
5-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-4,4-dimethylpentan-1-ol
CID 106144196

Frequently Asked Questions

What is the IUPAC name of 3-[[(2,2-diethyl-4-hydroxybutyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile?
The IUPAC name of 3-[[(2,2-diethyl-4-hydroxybutyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile (CID 111498712) is 3-[[(2,2-diethyl-4-hydroxybutyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile.
What is the SMILES notation for 3-[[(2,2-diethyl-4-hydroxybutyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile?
The canonical SMILES for 3-[[(2,2-diethyl-4-hydroxybutyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile is CCC(CC)(CCO)CNCc1cnc2ccc(C#N)cn12.
What is the InChIKey of 3-[[(2,2-diethyl-4-hydroxybutyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile?
The InChIKey is VLGSREOOBFRXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-3-17(4-2,7-8-22)13-19-10-15-11-20-16-6-5-14(9-18)12-21(15)16/h5-6,11-12,19,22H,3-4,7-8,10,13H2,1-2H3.
What are the key properties of 3-[[(2,2-diethyl-4-hydroxybutyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile?
3-[[(2,2-diethyl-4-hydroxybutyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile has a molecular weight of 300.41 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2,2-diethyl-4-hydroxybutyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile is sourced from PubChem (CID 111498712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).