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

C15H20N4O — CID 111468076

IUPAC3-[[(3-hydroxy-4-methylpentyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
SMILESCC(C)C(O)CCNCc1cnc2ccc(C#N)cn12
InChIInChI=1S/C15H20N4O/c1-11(2)14(20)5-6-17-8-13-9-18-15-4-3-12(7-16)10-19(13)15/h3-4,9-11,14,17,20H,5-6,8H2,1-2H3
InChIKeyMCIOAHRKCLGRKK-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.70
Rot. Bonds6

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

3-[[(3-hydroxy-4-methylpentyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile (PubChem CID 111468076) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[[(3-hydroxy-4-methylpentyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-[[(3-hydroxy-4-methylpentyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
PubChem CID111468076
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-[[(3-hydroxy-4-methylpentyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
SMILESCC(C)C(O)CCNCc1cnc2ccc(C#N)cn12
InChIInChI=1S/C15H20N4O/c1-11(2)14(20)5-6-17-8-13-9-18-15-4-3-12(7-16)10-19(13)15/h3-4,9-11,14,17,20H,5-6,8H2,1-2H3
InChIKeyMCIOAHRKCLGRKK-UHFFFAOYSA-N
XLogP1.70
TPSA73.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(3-hydroxypropylsulfanyl)ethylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 111434688
3-[[(2,2-diethyl-4-hydroxybutyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 111498712
4-[(6-cyanoimidazo[1,2-a]pyridin-3-yl)methylamino]-N,N-diethylbutanamide
CID 119136123
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
(2R)-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]propan-2-ol
CID 103884204
3-[[1-(4-hydroxyphenyl)propan-2-yl-methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 167919790
2,2,4-trimethyl-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]pentan-3-ol
CID 109380142
3-[[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 119136114
3-[[[(3S,4S)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 166355076
5-[[(3-hydroxy-4-methylpentyl)amino]methyl]furan-2-carbonitrile
CID 115654714
4-[[[(3S)-3-hydroxybutyl]amino]methyl]benzonitrile
CID 96500057

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-hydroxy-4-methylpentyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile?
The IUPAC name of 3-[[(3-hydroxy-4-methylpentyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile (CID 111468076) is 3-[[(3-hydroxy-4-methylpentyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile.
What is the SMILES notation for 3-[[(3-hydroxy-4-methylpentyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile?
The canonical SMILES for 3-[[(3-hydroxy-4-methylpentyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile is CC(C)C(O)CCNCc1cnc2ccc(C#N)cn12.
What is the InChIKey of 3-[[(3-hydroxy-4-methylpentyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile?
The InChIKey is MCIOAHRKCLGRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(2)14(20)5-6-17-8-13-9-18-15-4-3-12(7-16)10-19(13)15/h3-4,9-11,14,17,20H,5-6,8H2,1-2H3.
What are the key properties of 3-[[(3-hydroxy-4-methylpentyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile?
3-[[(3-hydroxy-4-methylpentyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile has a molecular weight of 272.35 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-hydroxy-4-methylpentyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile is sourced from PubChem (CID 111468076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).