N-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]furan-3-carboxamide

C14H15N3O3 — CID 42959320

IUPACN-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]furan-3-carboxamide
SMILESCC(NC(=O)CNC(=O)c1ccoc1)c1ccncc1
InChIInChI=1S/C14H15N3O3/c1-10(11-2-5-15-6-3-11)17-13(18)8-16-14(19)12-4-7-20-9-12/h2-7,9-10H,8H2,1H3,(H,16,19)(H,17,18)
InChIKeyUWGKYJYARSCWPO-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.28
Rot. Bonds5

About N-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]furan-3-carboxamide

N-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]furan-3-carboxamide (PubChem CID 42959320) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]furan-3-carboxamide
PubChem CID42959320
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]furan-3-carboxamide
SMILESCC(NC(=O)CNC(=O)c1ccoc1)c1ccncc1
InChIInChI=1S/C14H15N3O3/c1-10(11-2-5-15-6-3-11)17-13(18)8-16-14(19)12-4-7-20-9-12/h2-7,9-10H,8H2,1H3,(H,16,19)(H,17,18)
InChIKeyUWGKYJYARSCWPO-UHFFFAOYSA-N
XLogP1.28
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.28
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-(1-pyridin-4-ylethylamino)ethyl]furan-3-carboxamide?
The IUPAC name of N-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]furan-3-carboxamide (CID 42959320) is N-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]furan-3-carboxamide is CC(NC(=O)CNC(=O)c1ccoc1)c1ccncc1.
What is the InChIKey of N-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]furan-3-carboxamide?
The InChIKey is UWGKYJYARSCWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-10(11-2-5-15-6-3-11)17-13(18)8-16-14(19)12-4-7-20-9-12/h2-7,9-10H,8H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]furan-3-carboxamide?
N-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]furan-3-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]furan-3-carboxamide is sourced from PubChem (CID 42959320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).