N-[2-hydroxy-1-[(2-pyridin-3-ylpiperidin-1-yl)methyl]indol-3-yl]iminobenzamide

C26H25N5O2 — CID 135652608

IUPACN-[2-hydroxy-1-[(2-pyridin-3-ylpiperidin-1-yl)methyl]indol-3-yl]iminobenzamide
SMILESO=C(/N=N/c1c(O)n(CN2CCCCC2c2cccnc2)c2ccccc12)c1ccccc1
InChIInChI=1S/C26H25N5O2/c32-25(19-9-2-1-3-10-19)29-28-24-21-12-4-5-14-23(21)31(26(24)33)18-30-16-7-6-13-22(30)20-11-8-15-27-17-20/h1-5,8-12,14-15,17,22,33H,6-7,13,16,18H2/b29-28+
InChIKeySWWMBVJOOKSYMI-ZQHSETAFSA-N
MW439.52 g/mol
LogP5.85
Rot. Bonds5

About N-[2-hydroxy-1-[(2-pyridin-3-ylpiperidin-1-yl)methyl]indol-3-yl]iminobenzamide

N-[2-hydroxy-1-[(2-pyridin-3-ylpiperidin-1-yl)methyl]indol-3-yl]iminobenzamide (PubChem CID 135652608) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[2-hydroxy-1-[(2-pyridin-3-ylpiperidin-1-yl)methyl]indol-3-yl]iminobenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-1-[(2-pyridin-3-ylpiperidin-1-yl)methyl]indol-3-yl]iminobenzamide
PubChem CID135652608
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC NameN-[2-hydroxy-1-[(2-pyridin-3-ylpiperidin-1-yl)methyl]indol-3-yl]iminobenzamide
SMILESO=C(/N=N/c1c(O)n(CN2CCCCC2c2cccnc2)c2ccccc12)c1ccccc1
InChIInChI=1S/C26H25N5O2/c32-25(19-9-2-1-3-10-19)29-28-24-21-12-4-5-14-23(21)31(26(24)33)18-30-16-7-6-13-22(30)20-11-8-15-27-17-20/h1-5,8-12,14-15,17,22,33H,6-7,13,16,18H2/b29-28+
InChIKeySWWMBVJOOKSYMI-ZQHSETAFSA-N
XLogP5.85
TPSA83.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-[5-bromo-2-hydroxy-1-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]indol-3-yl]iminopyridine-3-carboxamide
CID 135956121
N-[5-bromo-2-hydroxy-1-[(2-pyridin-3-ylpiperidin-1-yl)methyl]indol-3-yl]imino-4-chlorobenzamide
CID 4921767
N-[5-bromo-2-hydroxy-1-[(2-pyridin-3-ylpiperidin-1-yl)methyl]indol-3-yl]iminofuran-2-carboxamide
CID 3706513
N-[2-hydroxy-1-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]indol-3-yl]imino-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 135956119
N-[2-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-3-yl]iminopyridine-3-carboxamide
CID 135848862
N-[5-bromo-2-hydroxy-1-[[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]indol-3-yl]imino-4-chlorobenzamide
CID 135750578
5-methyl-2-phenyl-4-[[1-[(2-pyridin-3-ylpiperidin-1-yl)methyl]indol-3-yl]methylidene]pyrazol-3-one
CID 4900102
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
1-N,4-N-bis[(2-hydroxy-1-prop-2-enylindol-3-yl)imino]benzene-1,4-dicarboxamide
CID 1048805
3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine
CID 91294184
2-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]isoindole-1,3-dione
CID 51644910
3-[(2R)-1-(3-phenylsulfanylpropyl)piperidin-2-yl]pyridine
CID 40637351

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-1-[(2-pyridin-3-ylpiperidin-1-yl)methyl]indol-3-yl]iminobenzamide?
The IUPAC name of N-[2-hydroxy-1-[(2-pyridin-3-ylpiperidin-1-yl)methyl]indol-3-yl]iminobenzamide (CID 135652608) is N-[2-hydroxy-1-[(2-pyridin-3-ylpiperidin-1-yl)methyl]indol-3-yl]iminobenzamide.
What is the SMILES notation for N-[2-hydroxy-1-[(2-pyridin-3-ylpiperidin-1-yl)methyl]indol-3-yl]iminobenzamide?
The canonical SMILES for N-[2-hydroxy-1-[(2-pyridin-3-ylpiperidin-1-yl)methyl]indol-3-yl]iminobenzamide is O=C(/N=N/c1c(O)n(CN2CCCCC2c2cccnc2)c2ccccc12)c1ccccc1.
What is the InChIKey of N-[2-hydroxy-1-[(2-pyridin-3-ylpiperidin-1-yl)methyl]indol-3-yl]iminobenzamide?
The InChIKey is SWWMBVJOOKSYMI-ZQHSETAFSA-N. The full InChI is InChI=1S/C26H25N5O2/c32-25(19-9-2-1-3-10-19)29-28-24-21-12-4-5-14-23(21)31(26(24)33)18-30-16-7-6-13-22(30)20-11-8-15-27-17-20/h1-5,8-12,14-15,17,22,33H,6-7,13,16,18H2/b29-28+.
What are the key properties of N-[2-hydroxy-1-[(2-pyridin-3-ylpiperidin-1-yl)methyl]indol-3-yl]iminobenzamide?
N-[2-hydroxy-1-[(2-pyridin-3-ylpiperidin-1-yl)methyl]indol-3-yl]iminobenzamide has a molecular weight of 439.52 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-1-[(2-pyridin-3-ylpiperidin-1-yl)methyl]indol-3-yl]iminobenzamide is sourced from PubChem (CID 135652608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).