N-(3-cyanothiophen-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

C16H17N5OS — CID 4877559

IUPACN-(3-cyanothiophen-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESN#Cc1ccsc1NC(=O)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H17N5OS/c17-11-13-4-10-23-16(13)19-15(22)12-20-6-8-21(9-7-20)14-3-1-2-5-18-14/h1-5,10H,6-9,12H2,(H,19,22)
InChIKeyGHCHQARBGJOQFS-UHFFFAOYSA-N
MW327.41 g/mol
LogP1.78
Rot. Bonds4

About N-(3-cyanothiophen-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

N-(3-cyanothiophen-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 4877559) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID4877559
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC NameN-(3-cyanothiophen-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESN#Cc1ccsc1NC(=O)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H17N5OS/c17-11-13-4-10-23-16(13)19-15(22)12-20-6-8-21(9-7-20)14-3-1-2-5-18-14/h1-5,10H,6-9,12H2,(H,19,22)
InChIKeyGHCHQARBGJOQFS-UHFFFAOYSA-N
XLogP1.78
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-cyanothiophen-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide 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

N-(1,3-Thiazol-2-yl)pyridin-2-amine 15
CID 5329328
N-(1,3-Thiazol-2-yl)pyridin-2-amine 18
CID 5329331
N-(1,3-Thiazol-2-yl)pyridin-2-amine 19
CID 5329332
4-(2-(5-Cyanothiazol-2-ylamino)pyridin-4-ylmethyl)piperazine-1-carboxylic acid methylamide
CID 5329333
N-(1,3-Thiazol-2-yl)pyridin-2-amine 21
CID 5329334
N-(1,3-Thiazol-2-yl)pyridin-2-amine 23
CID 5329336
(2E)-2-cyano-N-pyridin-2-yl-3-(2-thienyl)acrylamide
CID 2544792
2-[4-[4-(2,4-Dioxo-1,3-thiazolidin-3-yl)butyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 13059832
2-[(4-Cyano-3-{[2-oxo-2-(2-pyridinylamino)ethyl]sulfanyl}-5-isothiazolyl)sulfanyl]-N-(2-pyridinyl)acetamide
CID 1894658
4-({6-[(5-cyano-1,3-thiazol-2-yl)amino]pyridin-3-yl}methyl)-N-methylpiperazine-1-carboxamide
CID 25093343
N-(3-Cyano-4,5-dimethyl-thiophen-2-yl)-2-(4-pyridin-2-yl-piperazin-1-yl)-acetamide
CID 645442
1-Pyridin-2-yl-4-(thiophen-3-ylmethyl)piperazine
CID 763728

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 4877559) is N-(3-cyanothiophen-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is N#Cc1ccsc1NC(=O)CN1CCN(c2ccccn2)CC1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is GHCHQARBGJOQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c17-11-13-4-10-23-16(13)19-15(22)12-20-6-8-21(9-7-20)14-3-1-2-5-18-14/h1-5,10H,6-9,12H2,(H,19,22).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N-(3-cyanothiophen-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 327.41 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 4877559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).