N-[2-oxo-2-(pyridin-4-ylamino)ethyl]thiophene-2-carboxamide

C12H11N3O2S — CID 18109245

IUPACN-[2-oxo-2-(pyridin-4-ylamino)ethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)Nc1ccncc1
InChIInChI=1S/C12H11N3O2S/c16-11(15-9-3-5-13-6-4-9)8-14-12(17)10-2-1-7-18-10/h1-7H,8H2,(H,14,17)(H,13,15,16)
InChIKeySOAATDORGOGIKE-UHFFFAOYSA-N
MW261.31 g/mol
LogP1.51
Rot. Bonds4

About N-[2-oxo-2-(pyridin-4-ylamino)ethyl]thiophene-2-carboxamide

N-[2-oxo-2-(pyridin-4-ylamino)ethyl]thiophene-2-carboxamide (PubChem CID 18109245) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is N-[2-oxo-2-(pyridin-4-ylamino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(pyridin-4-ylamino)ethyl]thiophene-2-carboxamide
PubChem CID18109245
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC NameN-[2-oxo-2-(pyridin-4-ylamino)ethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)Nc1ccncc1
InChIInChI=1S/C12H11N3O2S/c16-11(15-9-3-5-13-6-4-9)8-14-12(17)10-2-1-7-18-10/h1-7H,8H2,(H,14,17)(H,13,15,16)
InChIKeySOAATDORGOGIKE-UHFFFAOYSA-N
XLogP1.51
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(pyridin-4-ylamino)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-oxo-2-(pyridin-4-ylamino)ethyl]thiophene-2-carboxamide (CID 18109245) is N-[2-oxo-2-(pyridin-4-ylamino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(pyridin-4-ylamino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-(pyridin-4-ylamino)ethyl]thiophene-2-carboxamide is O=C(CNC(=O)c1cccs1)Nc1ccncc1.
What is the InChIKey of N-[2-oxo-2-(pyridin-4-ylamino)ethyl]thiophene-2-carboxamide?
The InChIKey is SOAATDORGOGIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c16-11(15-9-3-5-13-6-4-9)8-14-12(17)10-2-1-7-18-10/h1-7H,8H2,(H,14,17)(H,13,15,16).
What are the key properties of N-[2-oxo-2-(pyridin-4-ylamino)ethyl]thiophene-2-carboxamide?
N-[2-oxo-2-(pyridin-4-ylamino)ethyl]thiophene-2-carboxamide has a molecular weight of 261.31 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(pyridin-4-ylamino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 18109245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).