N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-thiophen-2-ylpyridine-3-carboxamide

C24H20N4O2S — CID 143708593

IUPACN-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-thiophen-2-ylpyridine-3-carboxamide
SMILES[H]/N=C(/CC(NC(=O)c1cncc(-c2cccs2)c1)c1ccccc1O)c1cccnc1
InChIInChI=1S/C24H20N4O2S/c25-20(16-5-3-9-26-13-16)12-21(19-6-1-2-7-22(19)29)28-24(30)18-11-17(14-27-15-18)23-8-4-10-31-23/h1-11,13-15,21,25,29H,12H2,(H,28,30)/b25-20-
InChIKeyPWWBOGORJOVINK-QQTULTPQSA-N
MW428.52 g/mol
LogP4.84
Rot. Bonds7

About N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-thiophen-2-ylpyridine-3-carboxamide

N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-thiophen-2-ylpyridine-3-carboxamide (PubChem CID 143708593) has the molecular formula C24H20N4O2S and a molecular weight of 428.52 g/mol. Its IUPAC name is N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-thiophen-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-thiophen-2-ylpyridine-3-carboxamide
PubChem CID143708593
Molecular FormulaC24H20N4O2S
Molecular Weight428.52 g/mol
Exact Mass428.13
IUPAC NameN-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-thiophen-2-ylpyridine-3-carboxamide
SMILES[H]/N=C(/CC(NC(=O)c1cncc(-c2cccs2)c1)c1ccccc1O)c1cccnc1
InChIInChI=1S/C24H20N4O2S/c25-20(16-5-3-9-26-13-16)12-21(19-6-1-2-7-22(19)29)28-24(30)18-11-17(14-27-15-18)23-8-4-10-31-23/h1-11,13-15,21,25,29H,12H2,(H,28,30)/b25-20-
InChIKeyPWWBOGORJOVINK-QQTULTPQSA-N
XLogP4.84
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-thiophen-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-thiophen-2-ylpyridine-3-carboxamide (CID 143708593) is N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-thiophen-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-thiophen-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-thiophen-2-ylpyridine-3-carboxamide is [H]/N=C(/CC(NC(=O)c1cncc(-c2cccs2)c1)c1ccccc1O)c1cccnc1.
What is the InChIKey of N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-thiophen-2-ylpyridine-3-carboxamide?
The InChIKey is PWWBOGORJOVINK-QQTULTPQSA-N. The full InChI is InChI=1S/C24H20N4O2S/c25-20(16-5-3-9-26-13-16)12-21(19-6-1-2-7-22(19)29)28-24(30)18-11-17(14-27-15-18)23-8-4-10-31-23/h1-11,13-15,21,25,29H,12H2,(H,28,30)/b25-20-.
What are the key properties of N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-thiophen-2-ylpyridine-3-carboxamide?
N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-thiophen-2-ylpyridine-3-carboxamide has a molecular weight of 428.52 g/mol, XLogP of 4.84, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-thiophen-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 143708593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).