N-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide

C14H14N4O2S — CID 53335980

IUPACN-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccsc1C(=O)N1CCCC1)c1cnccn1
InChIInChI=1S/C14H14N4O2S/c19-13(11-9-15-4-5-16-11)17-10-3-8-21-12(10)14(20)18-6-1-2-7-18/h3-5,8-9H,1-2,6-7H2,(H,17,19)
InChIKeyCHUJVSUYHRHVPI-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.03
Rot. Bonds3

About N-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide

N-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide (PubChem CID 53335980) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide
PubChem CID53335980
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC NameN-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccsc1C(=O)N1CCCC1)c1cnccn1
InChIInChI=1S/C14H14N4O2S/c19-13(11-9-15-4-5-16-11)17-10-3-8-21-12(10)14(20)18-6-1-2-7-18/h3-5,8-9H,1-2,6-7H2,(H,17,19)
InChIKeyCHUJVSUYHRHVPI-UHFFFAOYSA-N
XLogP2.03
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methylpiperazine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335996
N-[2-(4-carbamoylpiperidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335990
N-[2-[4-(4-methylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide
CID 53336035
N-[2-[4-(4-acetylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide
CID 53336017
N-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide
CID 53336004
N-[2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide
CID 53336010
N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide
CID 53336001
N-[2-(2-morpholin-4-ylethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335963
N-[2-(pyridin-4-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335949
N-[2-(oxolan-2-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335961
N-[2-[(3,5-difluorophenyl)methylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide
CID 53335924
N-[2-(2-pyridin-3-ylethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335951

Frequently Asked Questions

What is the IUPAC name of N-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide (CID 53335980) is N-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide is O=C(Nc1ccsc1C(=O)N1CCCC1)c1cnccn1.
What is the InChIKey of N-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide?
The InChIKey is CHUJVSUYHRHVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c19-13(11-9-15-4-5-16-11)17-10-3-8-21-12(10)14(20)18-6-1-2-7-18/h3-5,8-9H,1-2,6-7H2,(H,17,19).
What are the key properties of N-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide?
N-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 53335980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).