N-(2-hydroxy-1-prop-2-enylindol-3-yl)iminopyridine-4-carboxamide

C17H14N4O2 — CID 747262

IUPACN-(2-hydroxy-1-prop-2-enylindol-3-yl)iminopyridine-4-carboxamide
SMILESC=CCn1c(O)c(/N=N/C(=O)c2ccncc2)c2ccccc21
InChIInChI=1S/C17H14N4O2/c1-2-11-21-14-6-4-3-5-13(14)15(17(21)23)19-20-16(22)12-7-9-18-10-8-12/h2-10,23H,1,11H2/b20-19+
InChIKeyHIHBUYLVUXYBPW-FMQUCBEESA-N
MW306.32 g/mol
LogP3.85
Rot. Bonds4

About N-(2-hydroxy-1-prop-2-enylindol-3-yl)iminopyridine-4-carboxamide

N-(2-hydroxy-1-prop-2-enylindol-3-yl)iminopyridine-4-carboxamide (PubChem CID 747262) has the molecular formula C17H14N4O2 and a molecular weight of 306.32 g/mol. Its IUPAC name is N-(2-hydroxy-1-prop-2-enylindol-3-yl)iminopyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-prop-2-enylindol-3-yl)iminopyridine-4-carboxamide
PubChem CID747262
Molecular FormulaC17H14N4O2
Molecular Weight306.32 g/mol
Exact Mass306.11
IUPAC NameN-(2-hydroxy-1-prop-2-enylindol-3-yl)iminopyridine-4-carboxamide
SMILESC=CCn1c(O)c(/N=N/C(=O)c2ccncc2)c2ccccc21
InChIInChI=1S/C17H14N4O2/c1-2-11-21-14-6-4-3-5-13(14)15(17(21)23)19-20-16(22)12-7-9-18-10-8-12/h2-10,23H,1,11H2/b20-19+
InChIKeyHIHBUYLVUXYBPW-FMQUCBEESA-N
XLogP3.85
TPSA79.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-prop-2-enylindol-3-yl)iminopyridine-4-carboxamide?
The IUPAC name of N-(2-hydroxy-1-prop-2-enylindol-3-yl)iminopyridine-4-carboxamide (CID 747262) is N-(2-hydroxy-1-prop-2-enylindol-3-yl)iminopyridine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-1-prop-2-enylindol-3-yl)iminopyridine-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-1-prop-2-enylindol-3-yl)iminopyridine-4-carboxamide is C=CCn1c(O)c(/N=N/C(=O)c2ccncc2)c2ccccc21.
What is the InChIKey of N-(2-hydroxy-1-prop-2-enylindol-3-yl)iminopyridine-4-carboxamide?
The InChIKey is HIHBUYLVUXYBPW-FMQUCBEESA-N. The full InChI is InChI=1S/C17H14N4O2/c1-2-11-21-14-6-4-3-5-13(14)15(17(21)23)19-20-16(22)12-7-9-18-10-8-12/h2-10,23H,1,11H2/b20-19+.
What are the key properties of N-(2-hydroxy-1-prop-2-enylindol-3-yl)iminopyridine-4-carboxamide?
N-(2-hydroxy-1-prop-2-enylindol-3-yl)iminopyridine-4-carboxamide has a molecular weight of 306.32 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-prop-2-enylindol-3-yl)iminopyridine-4-carboxamide is sourced from PubChem (CID 747262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).