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

C19H20N4O2 — CID 111434676

IUPAC3-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
SMILESCc1cccc(OCC(O)CNCc2cnc3ccc(C#N)cn23)c1
InChIInChI=1S/C19H20N4O2/c1-14-3-2-4-18(7-14)25-13-17(24)11-21-9-16-10-22-19-6-5-15(8-20)12-23(16)19/h2-7,10,12,17,21,24H,9,11,13H2,1H3
InChIKeyMMYWCANKSVSXAI-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.04
Rot. Bonds7

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

3-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile (PubChem CID 111434676) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
PubChem CID111434676
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name3-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
SMILESCc1cccc(OCC(O)CNCc2cnc3ccc(C#N)cn23)c1
InChIInChI=1S/C19H20N4O2/c1-14-3-2-4-18(7-14)25-13-17(24)11-21-9-16-10-22-19-6-5-15(8-20)12-23(16)19/h2-7,10,12,17,21,24H,9,11,13H2,1H3
InChIKeyMMYWCANKSVSXAI-UHFFFAOYSA-N
XLogP2.04
TPSA82.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]furan-2-carbonitrile
CID 111466527
1-(3-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632284
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846
3-[3-(2,2-dimethylpropylamino)-2-hydroxypropoxy]benzonitrile
CID 61166644
1-(cyclopropylmethoxy)-3-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]propan-2-ol
CID 111466555
3-[3-(furan-2-ylmethylamino)-2-hydroxypropoxy]benzonitrile
CID 60901515
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-3-(3-methylphenoxy)propan-2-ol
CID 111434675
1-[(2,5-difluorophenyl)methylamino]-3-(3-methylphenoxy)propan-2-ol
CID 110906225
1-[[4-(dimethylamino)phenyl]methylamino]-3-(3-methylphenoxy)propan-2-ol
CID 110906230
1-(4-fluorophenoxy)-3-[(3-methylphenyl)methylamino]propan-2-ol
CID 60729279
3-ethyl-1-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]pentan-2-ol
CID 106285812
2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]acetamide
CID 60902288

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile?
The IUPAC name of 3-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile (CID 111434676) is 3-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile.
What is the SMILES notation for 3-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile?
The canonical SMILES for 3-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile is Cc1cccc(OCC(O)CNCc2cnc3ccc(C#N)cn23)c1.
What is the InChIKey of 3-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile?
The InChIKey is MMYWCANKSVSXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14-3-2-4-18(7-14)25-13-17(24)11-21-9-16-10-22-19-6-5-15(8-20)12-23(16)19/h2-7,10,12,17,21,24H,9,11,13H2,1H3.
What are the key properties of 3-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile?
3-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile has a molecular weight of 336.40 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile is sourced from PubChem (CID 111434676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).