N-[2-(thiophene-2-carbonylamino)ethyl]pyridine-2-carboxamide

C13H13N3O2S — CID 108542652

IUPACN-[2-(thiophene-2-carbonylamino)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCNC(=O)c1cccs1)c1ccccn1
InChIInChI=1S/C13H13N3O2S/c17-12(10-4-1-2-6-14-10)15-7-8-16-13(18)11-5-3-9-19-11/h1-6,9H,7-8H2,(H,15,17)(H,16,18)
InChIKeyMJNDABXHOLBFLV-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.30
Rot. Bonds5

About N-[2-(thiophene-2-carbonylamino)ethyl]pyridine-2-carboxamide

N-[2-(thiophene-2-carbonylamino)ethyl]pyridine-2-carboxamide (PubChem CID 108542652) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[2-(thiophene-2-carbonylamino)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(thiophene-2-carbonylamino)ethyl]pyridine-2-carboxamide
PubChem CID108542652
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC NameN-[2-(thiophene-2-carbonylamino)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCNC(=O)c1cccs1)c1ccccn1
InChIInChI=1S/C13H13N3O2S/c17-12(10-4-1-2-6-14-10)15-7-8-16-13(18)11-5-3-9-19-11/h1-6,9H,7-8H2,(H,15,17)(H,16,18)
InChIKeyMJNDABXHOLBFLV-UHFFFAOYSA-N
XLogP1.30
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-pyridin-2-yloxypropyl)thiophene-2-carboxamide
CID 19079216
N-[3-oxo-3-(pyridin-2-ylamino)propyl]thiophene-2-carboxamide
CID 51266033
N-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]thiophene-2-carboxamide
CID 46961978
N-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride
CID 54601367
N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide
CID 115282462
N-(2-bromoethyl)pyridine-2-carboxamide
CID 12983473
N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide
CID 131963289
N-[2-[(2,2-dichloroacetyl)amino]ethyl]thiophene-2-carboxamide
CID 108573968
N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]thiophene-2-carboxamide
CID 86266129
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
N-[2-(ethylamino)ethyl]thiophene-2-carboxamide
CID 62657845
N-[2-(benzylamino)ethyl]thiophene-2-carboxamide
CID 47148638

Frequently Asked Questions

What is the IUPAC name of N-[2-(thiophene-2-carbonylamino)ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(thiophene-2-carbonylamino)ethyl]pyridine-2-carboxamide (CID 108542652) is N-[2-(thiophene-2-carbonylamino)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(thiophene-2-carbonylamino)ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(thiophene-2-carbonylamino)ethyl]pyridine-2-carboxamide is O=C(NCCNC(=O)c1cccs1)c1ccccn1.
What is the InChIKey of N-[2-(thiophene-2-carbonylamino)ethyl]pyridine-2-carboxamide?
The InChIKey is MJNDABXHOLBFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c17-12(10-4-1-2-6-14-10)15-7-8-16-13(18)11-5-3-9-19-11/h1-6,9H,7-8H2,(H,15,17)(H,16,18).
What are the key properties of N-[2-(thiophene-2-carbonylamino)ethyl]pyridine-2-carboxamide?
N-[2-(thiophene-2-carbonylamino)ethyl]pyridine-2-carboxamide has a molecular weight of 275.33 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(thiophene-2-carbonylamino)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 108542652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).