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

C24H20N4O2S — CID 89256906

IUPACN-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-pyridin-2-ylthiophene-2-carboxamide
SMILES[H]/N=C(/CC(NC(=O)c1ccc(-c2ccccn2)s1)c1ccccc1O)c1cccnc1
InChIInChI=1S/C24H20N4O2S/c25-18(16-6-5-12-26-15-16)14-20(17-7-1-2-9-21(17)29)28-24(30)23-11-10-22(31-23)19-8-3-4-13-27-19/h1-13,15,20,25,29H,14H2,(H,28,30)/b25-18-
InChIKeyWKBGGGVJHVFAIW-BWAHOGKJSA-N
MW428.52 g/mol
LogP4.84
Rot. Bonds7

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

N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-pyridin-2-ylthiophene-2-carboxamide (PubChem CID 89256906) 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-pyridin-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-pyridin-2-ylthiophene-2-carboxamide
PubChem CID89256906
Molecular FormulaC24H20N4O2S
Molecular Weight428.52 g/mol
Exact Mass428.13
IUPAC NameN-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-pyridin-2-ylthiophene-2-carboxamide
SMILES[H]/N=C(/CC(NC(=O)c1ccc(-c2ccccn2)s1)c1ccccc1O)c1cccnc1
InChIInChI=1S/C24H20N4O2S/c25-18(16-6-5-12-26-15-16)14-20(17-7-1-2-9-21(17)29)28-24(30)23-11-10-22(31-23)19-8-3-4-13-27-19/h1-13,15,20,25,29H,14H2,(H,28,30)/b25-18-
InChIKeyWKBGGGVJHVFAIW-BWAHOGKJSA-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'}

Analyze N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-pyridin-2-ylthiophene-2-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

4-[5-[[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]carbamoyl]thiophen-2-yl]benzoic acid
CID 143708818
N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-(2-pyridin-2-ylethynyl)thiophene-2-carboxamide
CID 143708749
N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide
CID 143708761
2-(3-chlorophenyl)-N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-1,3-thiazole-4-carboxamide
CID 143708772
1-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-3-[2-(phenoxymethyl)phenyl]urea
CID 143708881
1-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-3-(2-phenylmethoxyphenyl)urea
CID 143708884
N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-2,5-dimethyl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxamide
CID 143708615
[3-[[2-(benzylamino)-1,3-thiazole-5-carbonyl]amino]-3-(2-hydroxyphenyl)-1-pyridin-3-ylpropylidene]azanium
CID 143708632
1-(3-cyclopentyloxy-4-methoxyphenyl)-3-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]urea
CID 143708753
5-pyridin-2-ylthiophene-2-carboxamide
CID 2778719
dihydroxy-[4-[[1-(3-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]carbamoyl]-2,5-dimethylfuran-3-yl]sulfanium
CID 143708692
5-pyridin-2-yl-N'-(thiophene-2-carbonyl)thiophene-2-carbohydrazide
CID 6733993

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-pyridin-2-ylthiophene-2-carboxamide?
The IUPAC name of N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-pyridin-2-ylthiophene-2-carboxamide (CID 89256906) is N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-pyridin-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-pyridin-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-pyridin-2-ylthiophene-2-carboxamide is [H]/N=C(/CC(NC(=O)c1ccc(-c2ccccn2)s1)c1ccccc1O)c1cccnc1.
What is the InChIKey of N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-pyridin-2-ylthiophene-2-carboxamide?
The InChIKey is WKBGGGVJHVFAIW-BWAHOGKJSA-N. The full InChI is InChI=1S/C24H20N4O2S/c25-18(16-6-5-12-26-15-16)14-20(17-7-1-2-9-21(17)29)28-24(30)23-11-10-22(31-23)19-8-3-4-13-27-19/h1-13,15,20,25,29H,14H2,(H,28,30)/b25-18-.
What are the key properties of N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-pyridin-2-ylthiophene-2-carboxamide?
N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-pyridin-2-ylthiophene-2-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-pyridin-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 89256906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).