N-[2-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-5-(2-oxo-1-pyridinyl)phenyl]pyridine-3-carboxamide

C26H19ClN6O3S — CID 58326722

IUPACN-[2-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-5-(2-oxo-1-pyridinyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(-n2ccccc2=O)ccc1-n1cc(CCC(=O)c2ccc(Cl)s2)nn1)c1cccnc1
InChIInChI=1S/C26H19ClN6O3S/c27-24-11-10-23(37-24)22(34)9-6-18-16-33(31-30-18)21-8-7-19(32-13-2-1-5-25(32)35)14-20(21)29-26(36)17-4-3-12-28-15-17/h1-5,7-8,10-16H,6,9H2,(H,29,36)
InChIKeyWPTKHWRXILWJBP-UHFFFAOYSA-N
MW531.00 g/mol
LogP4.60
Rot. Bonds8

About N-[2-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-5-(2-oxo-1-pyridinyl)phenyl]pyridine-3-carboxamide

N-[2-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-5-(2-oxo-1-pyridinyl)phenyl]pyridine-3-carboxamide (PubChem CID 58326722) has the molecular formula C26H19ClN6O3S and a molecular weight of 531.00 g/mol. Its IUPAC name is N-[2-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-5-(2-oxo-1-pyridinyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-5-(2-oxo-1-pyridinyl)phenyl]pyridine-3-carboxamide
PubChem CID58326722
Molecular FormulaC26H19ClN6O3S
Molecular Weight531.00 g/mol
Exact Mass530.09
IUPAC NameN-[2-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-5-(2-oxo-1-pyridinyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(-n2ccccc2=O)ccc1-n1cc(CCC(=O)c2ccc(Cl)s2)nn1)c1cccnc1
InChIInChI=1S/C26H19ClN6O3S/c27-24-11-10-23(37-24)22(34)9-6-18-16-33(31-30-18)21-8-7-19(32-13-2-1-5-25(32)35)14-20(21)29-26(36)17-4-3-12-28-15-17/h1-5,7-8,10-16H,6,9H2,(H,29,36)
InChIKeyWPTKHWRXILWJBP-UHFFFAOYSA-N
XLogP4.60
TPSA111.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.00
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[2-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-5-(2-oxo-1-pyridinyl)phenyl]pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-5-(2-oxo-1-pyridinyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-5-(2-oxo-1-pyridinyl)phenyl]pyridine-3-carboxamide (CID 58326722) is N-[2-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-5-(2-oxo-1-pyridinyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-5-(2-oxo-1-pyridinyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-5-(2-oxo-1-pyridinyl)phenyl]pyridine-3-carboxamide is O=C(Nc1cc(-n2ccccc2=O)ccc1-n1cc(CCC(=O)c2ccc(Cl)s2)nn1)c1cccnc1.
What is the InChIKey of N-[2-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-5-(2-oxo-1-pyridinyl)phenyl]pyridine-3-carboxamide?
The InChIKey is WPTKHWRXILWJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN6O3S/c27-24-11-10-23(37-24)22(34)9-6-18-16-33(31-30-18)21-8-7-19(32-13-2-1-5-25(32)35)14-20(21)29-26(36)17-4-3-12-28-15-17/h1-5,7-8,10-16H,6,9H2,(H,29,36).
What are the key properties of N-[2-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-5-(2-oxo-1-pyridinyl)phenyl]pyridine-3-carboxamide?
N-[2-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-5-(2-oxo-1-pyridinyl)phenyl]pyridine-3-carboxamide has a molecular weight of 531.00 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-5-(2-oxo-1-pyridinyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 58326722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).