N-[2-[3-(diethylamino)propylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide

C17H23N5O2S — CID 53335960

IUPACN-[2-[3-(diethylamino)propylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide
SMILESCCN(CC)CCCNC(=O)c1sccc1NC(=O)c1cnccn1
InChIInChI=1S/C17H23N5O2S/c1-3-22(4-2)10-5-7-20-17(24)15-13(6-11-25-15)21-16(23)14-12-18-8-9-19-14/h6,8-9,11-12H,3-5,7,10H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyIUPCLIYYIVLLLL-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.25
Rot. Bonds9

About N-[2-[3-(diethylamino)propylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide

N-[2-[3-(diethylamino)propylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide (PubChem CID 53335960) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[2-[3-(diethylamino)propylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(diethylamino)propylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide
PubChem CID53335960
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC NameN-[2-[3-(diethylamino)propylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide
SMILESCCN(CC)CCCNC(=O)c1sccc1NC(=O)c1cnccn1
InChIInChI=1S/C17H23N5O2S/c1-3-22(4-2)10-5-7-20-17(24)15-13(6-11-25-15)21-16(23)14-12-18-8-9-19-14/h6,8-9,11-12H,3-5,7,10H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyIUPCLIYYIVLLLL-UHFFFAOYSA-N
XLogP2.25
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[3-(diethylamino)propylcarbamoyl]thiophen-3-yl]pyrazine-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

N-[2-(2-pyridin-3-ylethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335951
N-[2-(pyridin-4-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335949
N-[2-[(4-methoxyphenyl)methylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide
CID 53335911
N-[2-(2-morpholin-4-ylethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335963
N-[2-[(3,5-difluorophenyl)methylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide
CID 53335924
N-[2-(oxolan-2-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335961
N-[2-(4-methylpiperazine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335996
N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100
N-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335980
2-amino-N-[3-(diethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 55116109
5-bromo-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 55153821
N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 51088431

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(diethylamino)propylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[3-(diethylamino)propylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide (CID 53335960) is N-[2-[3-(diethylamino)propylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[3-(diethylamino)propylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[3-(diethylamino)propylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide is CCN(CC)CCCNC(=O)c1sccc1NC(=O)c1cnccn1.
What is the InChIKey of N-[2-[3-(diethylamino)propylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide?
The InChIKey is IUPCLIYYIVLLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-3-22(4-2)10-5-7-20-17(24)15-13(6-11-25-15)21-16(23)14-12-18-8-9-19-14/h6,8-9,11-12H,3-5,7,10H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of N-[2-[3-(diethylamino)propylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide?
N-[2-[3-(diethylamino)propylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 2.25, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(diethylamino)propylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 53335960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).