N-[2-(pyridin-4-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide

C16H13N5O2S — CID 53335949

IUPACN-[2-(pyridin-4-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccsc1C(=O)NCc1ccncc1)c1cnccn1
InChIInChI=1S/C16H13N5O2S/c22-15(13-10-18-6-7-19-13)21-12-3-8-24-14(12)16(23)20-9-11-1-4-17-5-2-11/h1-8,10H,9H2,(H,20,23)(H,21,22)
InChIKeyZTOSTCQEHMTZEC-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.12
Rot. Bonds5

About N-[2-(pyridin-4-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide

N-[2-(pyridin-4-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide (PubChem CID 53335949) has the molecular formula C16H13N5O2S and a molecular weight of 339.38 g/mol. Its IUPAC name is N-[2-(pyridin-4-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(pyridin-4-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide
PubChem CID53335949
Molecular FormulaC16H13N5O2S
Molecular Weight339.38 g/mol
Exact Mass339.08
IUPAC NameN-[2-(pyridin-4-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccsc1C(=O)NCc1ccncc1)c1cnccn1
InChIInChI=1S/C16H13N5O2S/c22-15(13-10-18-6-7-19-13)21-12-3-8-24-14(12)16(23)20-9-11-1-4-17-5-2-11/h1-8,10H,9H2,(H,20,23)(H,21,22)
InChIKeyZTOSTCQEHMTZEC-UHFFFAOYSA-N
XLogP2.12
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(4-methoxyphenyl)methylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide
CID 53335911
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
N-[2-[3-(diethylamino)propylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide
CID 53335960
N-[2-(2-morpholin-4-ylethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335963
N-[2-(oxolan-2-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335961
N-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335980
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-(ethylcarbamoyl)thiophen-3-yl]pyridine-4-carboxamide
CID 47323861
N-[2-[[4-(furan-2-carbonylamino)phenyl]methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide
CID 60541274
N-[(4-phenoxyphenyl)methyl]pyrazine-2-carboxamide
CID 110793747

Frequently Asked Questions

What is the IUPAC name of N-[2-(pyridin-4-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(pyridin-4-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide (CID 53335949) is N-[2-(pyridin-4-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(pyridin-4-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(pyridin-4-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide is O=C(Nc1ccsc1C(=O)NCc1ccncc1)c1cnccn1.
What is the InChIKey of N-[2-(pyridin-4-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide?
The InChIKey is ZTOSTCQEHMTZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2S/c22-15(13-10-18-6-7-19-13)21-12-3-8-24-14(12)16(23)20-9-11-1-4-17-5-2-11/h1-8,10H,9H2,(H,20,23)(H,21,22).
What are the key properties of N-[2-(pyridin-4-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide?
N-[2-(pyridin-4-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide has a molecular weight of 339.38 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(pyridin-4-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 53335949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).