N-phenyl-6-piperazin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]pyridine-3-carboxamide

C22H23N5O2S — CID 50828335

IUPACN-phenyl-6-piperazin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]pyridine-3-carboxamide
SMILESO=C(Cc1cccs1)Nc1cc(C(=O)Nc2ccccc2)cnc1N1CCNCC1
InChIInChI=1S/C22H23N5O2S/c28-20(14-18-7-4-12-30-18)26-19-13-16(22(29)25-17-5-2-1-3-6-17)15-24-21(19)27-10-8-23-9-11-27/h1-7,12-13,15,23H,8-11,14H2,(H,25,29)(H,26,28)
InChIKeyOLKWDZFIRHTMAX-UHFFFAOYSA-N
MW421.53 g/mol
LogP2.99
Rot. Bonds6

About N-phenyl-6-piperazin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]pyridine-3-carboxamide

N-phenyl-6-piperazin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]pyridine-3-carboxamide (PubChem CID 50828335) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is N-phenyl-6-piperazin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-phenyl-6-piperazin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]pyridine-3-carboxamide
PubChem CID50828335
Molecular FormulaC22H23N5O2S
Molecular Weight421.53 g/mol
Exact Mass421.16
IUPAC NameN-phenyl-6-piperazin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]pyridine-3-carboxamide
SMILESO=C(Cc1cccs1)Nc1cc(C(=O)Nc2ccccc2)cnc1N1CCNCC1
InChIInChI=1S/C22H23N5O2S/c28-20(14-18-7-4-12-30-18)26-19-13-16(22(29)25-17-5-2-1-3-6-17)15-24-21(19)27-10-8-23-9-11-27/h1-7,12-13,15,23H,8-11,14H2,(H,25,29)(H,26,28)
InChIKeyOLKWDZFIRHTMAX-UHFFFAOYSA-N
XLogP2.99
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-phenyl-6-piperazin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]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

Related Compounds

3-[[3-[(2-thiophen-2-ylacetyl)amino]benzoyl]amino]benzoic acid
CID 1026629
N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]piperidine-4-carboxamide
CID 119320001
5-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-2-[(2-thiophen-2-ylacetyl)amino]benzoic acid
CID 50782780
N-benzyl-5-[(4-chlorobenzoyl)amino]-N-ethyl-6-piperazin-1-ylpyridine-3-carboxamide
CID 50828181
N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-thiophen-2-ylacetamide
CID 50792075
N-(3-fluorophenyl)-2-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 38269111
N-(3-benzoylphenyl)-2-thiophen-2-ylacetamide
CID 762458
N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]pyrrolidine-3-carboxamide
CID 119777460
N-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 113035749
N-cyclohexyl-5-(2-methylpropanoylamino)-6-piperazin-1-ylpyridine-3-carboxamide
CID 50828269
4-chloro-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide
CID 31970330
5-amino-2-[(2-thiophen-2-ylacetyl)amino]benzoic acid
CID 63115689

Frequently Asked Questions

What is the IUPAC name of N-phenyl-6-piperazin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]pyridine-3-carboxamide?
The IUPAC name of N-phenyl-6-piperazin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]pyridine-3-carboxamide (CID 50828335) is N-phenyl-6-piperazin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-phenyl-6-piperazin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-phenyl-6-piperazin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]pyridine-3-carboxamide is O=C(Cc1cccs1)Nc1cc(C(=O)Nc2ccccc2)cnc1N1CCNCC1.
What is the InChIKey of N-phenyl-6-piperazin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]pyridine-3-carboxamide?
The InChIKey is OLKWDZFIRHTMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2S/c28-20(14-18-7-4-12-30-18)26-19-13-16(22(29)25-17-5-2-1-3-6-17)15-24-21(19)27-10-8-23-9-11-27/h1-7,12-13,15,23H,8-11,14H2,(H,25,29)(H,26,28).
What are the key properties of N-phenyl-6-piperazin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]pyridine-3-carboxamide?
N-phenyl-6-piperazin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]pyridine-3-carboxamide has a molecular weight of 421.53 g/mol, XLogP of 2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-6-piperazin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 50828335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).