5-(hydroxymethyl)-2-methyl-4-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]pyridin-3-ol

C19H23N3O3 — CID 135828932

IUPAC5-(hydroxymethyl)-2-methyl-4-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]pyridin-3-ol
SMILESCc1ncc(CO)c(/C=N/c2ccc(CN3CCOCC3)cc2)c1O
InChIInChI=1S/C19H23N3O3/c1-14-19(24)18(16(13-23)10-20-14)11-21-17-4-2-15(3-5-17)12-22-6-8-25-9-7-22/h2-5,10-11,23-24H,6-9,12-13H2,1H3/b21-11+
InChIKeyVGEDVSGHXHWHJC-SRZZPIQSSA-N
MW341.41 g/mol
LogP2.17
Rot. Bonds5

About 5-(hydroxymethyl)-2-methyl-4-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]pyridin-3-ol

5-(hydroxymethyl)-2-methyl-4-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]pyridin-3-ol (PubChem CID 135828932) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-4-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]pyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-4-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]pyridin-3-ol
PubChem CID135828932
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name5-(hydroxymethyl)-2-methyl-4-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]pyridin-3-ol
SMILESCc1ncc(CO)c(/C=N/c2ccc(CN3CCOCC3)cc2)c1O
InChIInChI=1S/C19H23N3O3/c1-14-19(24)18(16(13-23)10-20-14)11-21-17-4-2-15(3-5-17)12-22-6-8-25-9-7-22/h2-5,10-11,23-24H,6-9,12-13H2,1H3/b21-11+
InChIKeyVGEDVSGHXHWHJC-SRZZPIQSSA-N
XLogP2.17
TPSA78.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-(hydroxymethyl)-2-methyl-4-[[4-(morpholin-4-ylmethyl)phenyl]methyliminomethyl]pyridin-3-ol
CID 135829007
5-(hydroxymethyl)-2-methyl-4-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)iminomethyl]pyridin-3-ol
CID 135829002
5-(hydroxymethyl)-2-methyl-4-[(4-methylphenyl)iminomethyl]pyridin-3-ol;phosphoric acid
CID 172694491
1-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 135612451
2-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]phenol
CID 135758569
4-[(2,2-difluoro-1,3-benzodioxol-5-yl)iminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 135855273
5-(hydroxymethyl)-4-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]-2-methylpyridin-3-ol
CID 135828702
5-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 135828600
4-[[4-[(dimethylamino)methyl]phenyl]methyliminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 135829045
[4-(1,4-oxazepan-4-ylmethyl)phenyl]methanol
CID 112631236
3-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide
CID 135828634
5-(hydroxymethyl)-2-methyl-4-(2-methylpropyliminomethyl)pyridin-3-ol
CID 137100245

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]pyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]pyridin-3-ol (CID 135828932) is 5-(hydroxymethyl)-2-methyl-4-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]pyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-4-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]pyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-4-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]pyridin-3-ol is Cc1ncc(CO)c(/C=N/c2ccc(CN3CCOCC3)cc2)c1O.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-4-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]pyridin-3-ol?
The InChIKey is VGEDVSGHXHWHJC-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14-19(24)18(16(13-23)10-20-14)11-21-17-4-2-15(3-5-17)12-22-6-8-25-9-7-22/h2-5,10-11,23-24H,6-9,12-13H2,1H3/b21-11+.
What are the key properties of 5-(hydroxymethyl)-2-methyl-4-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]pyridin-3-ol?
5-(hydroxymethyl)-2-methyl-4-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]pyridin-3-ol has a molecular weight of 341.41 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-4-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]pyridin-3-ol is sourced from PubChem (CID 135828932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).