N-(10-hydroxyphenanthren-9-yl)iminopyridine-4-carboxamide

C20H13N3O2 — CID 135768561

IUPACN-(10-hydroxyphenanthren-9-yl)iminopyridine-4-carboxamide
SMILESO=C(/N=N/c1c(O)c2ccccc2c2ccccc12)c1ccncc1
InChIInChI=1S/C20H13N3O2/c24-19-17-8-4-2-6-15(17)14-5-1-3-7-16(14)18(19)22-23-20(25)13-9-11-21-12-10-13/h1-12,24H/b23-22+
InChIKeyUBWXTQAUZBTABE-GHVJWSGMSA-N
MW327.34 g/mol
LogP5.02
Rot. Bonds2

About N-(10-hydroxyphenanthren-9-yl)iminopyridine-4-carboxamide

N-(10-hydroxyphenanthren-9-yl)iminopyridine-4-carboxamide (PubChem CID 135768561) has the molecular formula C20H13N3O2 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-(10-hydroxyphenanthren-9-yl)iminopyridine-4-carboxamide.

Molecular Properties

Compound NameN-(10-hydroxyphenanthren-9-yl)iminopyridine-4-carboxamide
PubChem CID135768561
Molecular FormulaC20H13N3O2
Molecular Weight327.34 g/mol
Exact Mass327.10
IUPAC NameN-(10-hydroxyphenanthren-9-yl)iminopyridine-4-carboxamide
SMILESO=C(/N=N/c1c(O)c2ccccc2c2ccccc12)c1ccncc1
InChIInChI=1S/C20H13N3O2/c24-19-17-8-4-2-6-15(17)14-5-1-3-7-16(14)18(19)22-23-20(25)13-9-11-21-12-10-13/h1-12,24H/b23-22+
InChIKeyUBWXTQAUZBTABE-GHVJWSGMSA-N
XLogP5.02
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.34
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-(10-hydroxyphenanthren-9-yl)iminopyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-dihydroxy-3-methylnaphthalen-1-yl)iminobenzamide
CID 570072
N-(1-acetyl-2-hydroxyindol-3-yl)iminopyridine-4-carboxamide
CID 3851869
N-(10H-indeno[2,3-b]quinoxalin-11-ylimino)pyridine-4-carboxamide
CID 166768817
N-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]iminopyridine-4-carboxamide
CID 828327
N-[2-hydroxy-1-(2-phenylethyl)indol-3-yl]iminopyridine-4-carboxamide
CID 1365608
N-[1-(azepan-1-ylmethyl)-2-hydroxyindol-3-yl]iminopyridine-4-carboxamide
CID 1366307
N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]pyridine-4-carboxamide
CID 137172272
N-[(2-hydroxy-1H-indol-3-yl)imino]pyridin-1-ium-4-carboxamide acetate
CID 135794083
N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 747707
4-benzoyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 2309926
N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 5030390
N-[(E)-[(2E)-1,2-diphenyl-2-(pyridine-4-carbonylhydrazinylidene)ethylidene]amino]pyridine-4-carboxamide
CID 46202828

Frequently Asked Questions

What is the IUPAC name of N-(10-hydroxyphenanthren-9-yl)iminopyridine-4-carboxamide?
The IUPAC name of N-(10-hydroxyphenanthren-9-yl)iminopyridine-4-carboxamide (CID 135768561) is N-(10-hydroxyphenanthren-9-yl)iminopyridine-4-carboxamide.
What is the SMILES notation for N-(10-hydroxyphenanthren-9-yl)iminopyridine-4-carboxamide?
The canonical SMILES for N-(10-hydroxyphenanthren-9-yl)iminopyridine-4-carboxamide is O=C(/N=N/c1c(O)c2ccccc2c2ccccc12)c1ccncc1.
What is the InChIKey of N-(10-hydroxyphenanthren-9-yl)iminopyridine-4-carboxamide?
The InChIKey is UBWXTQAUZBTABE-GHVJWSGMSA-N. The full InChI is InChI=1S/C20H13N3O2/c24-19-17-8-4-2-6-15(17)14-5-1-3-7-16(14)18(19)22-23-20(25)13-9-11-21-12-10-13/h1-12,24H/b23-22+.
What are the key properties of N-(10-hydroxyphenanthren-9-yl)iminopyridine-4-carboxamide?
N-(10-hydroxyphenanthren-9-yl)iminopyridine-4-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 5.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10-hydroxyphenanthren-9-yl)iminopyridine-4-carboxamide is sourced from PubChem (CID 135768561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).