N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]pyridine-4-carboxamide

C14H15N3O2S — CID 108542045

IUPACN-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]pyridine-4-carboxamide
SMILESO=C(Cc1cccs1)NCCNC(=O)c1ccncc1
InChIInChI=1S/C14H15N3O2S/c18-13(10-12-2-1-9-20-12)16-7-8-17-14(19)11-3-5-15-6-4-11/h1-6,9H,7-8,10H2,(H,16,18)(H,17,19)
InChIKeyGUSZMDUDEVIPPZ-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.23
Rot. Bonds6

About N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]pyridine-4-carboxamide

N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]pyridine-4-carboxamide (PubChem CID 108542045) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]pyridine-4-carboxamide
PubChem CID108542045
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]pyridine-4-carboxamide
SMILESO=C(Cc1cccs1)NCCNC(=O)c1ccncc1
InChIInChI=1S/C14H15N3O2S/c18-13(10-12-2-1-9-20-12)16-7-8-17-14(19)11-3-5-15-6-4-11/h1-6,9H,7-8,10H2,(H,16,18)(H,17,19)
InChIKeyGUSZMDUDEVIPPZ-UHFFFAOYSA-N
XLogP1.23
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.23
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

2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide
CID 108573266
3-fluoro-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide
CID 108542051
3-acetamido-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide
CID 108541843
2-hydroxy-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide
CID 47712275
N-(2-imidazol-1-ylethyl)-2-thiophen-2-ylacetamide
CID 110472557
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N-[(Z)-1-pyridin-4-ylethylideneamino]-2-thiophen-2-ylacetamide
CID 5393099
N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 71807811
4-chloro-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]butanamide
CID 108573245
N-(3-pyridin-2-ylpropyl)-2-thiophen-2-ylacetamide
CID 110660977
6-oxo-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide
CID 108542025

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]pyridine-4-carboxamide (CID 108542045) is N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]pyridine-4-carboxamide is O=C(Cc1cccs1)NCCNC(=O)c1ccncc1.
What is the InChIKey of N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]pyridine-4-carboxamide?
The InChIKey is GUSZMDUDEVIPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c18-13(10-12-2-1-9-20-12)16-7-8-17-14(19)11-3-5-15-6-4-11/h1-6,9H,7-8,10H2,(H,16,18)(H,17,19).
What are the key properties of N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]pyridine-4-carboxamide?
N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]pyridine-4-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 108542045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).