N-[4-[4-[(4-chlorophenyl)-(propylamino)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide

C23H23ClN6OS — CID 90320800

IUPACN-[4-[4-[(4-chlorophenyl)-(propylamino)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide
SMILESCCCNC(c1ccc(Cl)cc1)c1cc(-c2ccnc(NC(C)=O)c2)sc1-c1ncn[nH]1
InChIInChI=1S/C23H23ClN6OS/c1-3-9-26-21(15-4-6-17(24)7-5-15)18-12-19(32-22(18)23-27-13-28-30-23)16-8-10-25-20(11-16)29-14(2)31/h4-8,10-13,21,26H,3,9H2,1-2H3,(H,25,29,31)(H,27,28,30)
InChIKeyQILJYJZHMNQTHI-UHFFFAOYSA-N
MW467.00 g/mol
LogP5.30
Rot. Bonds8

About N-[4-[4-[(4-chlorophenyl)-(propylamino)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide

N-[4-[4-[(4-chlorophenyl)-(propylamino)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide (PubChem CID 90320800) has the molecular formula C23H23ClN6OS and a molecular weight of 467.00 g/mol. Its IUPAC name is N-[4-[4-[(4-chlorophenyl)-(propylamino)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[(4-chlorophenyl)-(propylamino)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide
PubChem CID90320800
Molecular FormulaC23H23ClN6OS
Molecular Weight467.00 g/mol
Exact Mass466.13
IUPAC NameN-[4-[4-[(4-chlorophenyl)-(propylamino)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide
SMILESCCCNC(c1ccc(Cl)cc1)c1cc(-c2ccnc(NC(C)=O)c2)sc1-c1ncn[nH]1
InChIInChI=1S/C23H23ClN6OS/c1-3-9-26-21(15-4-6-17(24)7-5-15)18-12-19(32-22(18)23-27-13-28-30-23)16-8-10-25-20(11-16)29-14(2)31/h4-8,10-13,21,26H,3,9H2,1-2H3,(H,25,29,31)(H,27,28,30)
InChIKeyQILJYJZHMNQTHI-UHFFFAOYSA-N
XLogP5.30
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.00
LogP ≤ 55.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[4-[(4-chlorophenyl)-(propylamino)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide 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-[4-[4-[(4-chlorophenyl)-(propylamino)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[4-[(4-chlorophenyl)-(propylamino)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide (CID 90320800) is N-[4-[4-[(4-chlorophenyl)-(propylamino)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[4-[(4-chlorophenyl)-(propylamino)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[4-[(4-chlorophenyl)-(propylamino)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide is CCCNC(c1ccc(Cl)cc1)c1cc(-c2ccnc(NC(C)=O)c2)sc1-c1ncn[nH]1.
What is the InChIKey of N-[4-[4-[(4-chlorophenyl)-(propylamino)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide?
The InChIKey is QILJYJZHMNQTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6OS/c1-3-9-26-21(15-4-6-17(24)7-5-15)18-12-19(32-22(18)23-27-13-28-30-23)16-8-10-25-20(11-16)29-14(2)31/h4-8,10-13,21,26H,3,9H2,1-2H3,(H,25,29,31)(H,27,28,30).
What are the key properties of N-[4-[4-[(4-chlorophenyl)-(propylamino)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide?
N-[4-[4-[(4-chlorophenyl)-(propylamino)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide has a molecular weight of 467.00 g/mol, XLogP of 5.30, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(4-chlorophenyl)-(propylamino)methyl]-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 90320800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).