[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate

C14H13N3O5 — CID 9413781

IUPAC[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate
SMILESO=C(COC(=O)c1cccnc1)NC(=O)NCc1ccco1
InChIInChI=1S/C14H13N3O5/c18-12(9-22-13(19)10-3-1-5-15-7-10)17-14(20)16-8-11-4-2-6-21-11/h1-7H,8-9H2,(H2,16,17,18,20)
InChIKeyIFSAMHZXEVYKOV-UHFFFAOYSA-N
MW303.27 g/mol
LogP0.86
Rot. Bonds5

About [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate

[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate (PubChem CID 9413781) has the molecular formula C14H13N3O5 and a molecular weight of 303.27 g/mol. Its IUPAC name is [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate
PubChem CID9413781
Molecular FormulaC14H13N3O5
Molecular Weight303.27 g/mol
Exact Mass303.09
IUPAC Name[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate
SMILESO=C(COC(=O)c1cccnc1)NC(=O)NCc1ccco1
InChIInChI=1S/C14H13N3O5/c18-12(9-22-13(19)10-3-1-5-15-7-10)17-14(20)16-8-11-4-2-6-21-11/h1-7H,8-9H2,(H2,16,17,18,20)
InChIKeyIFSAMHZXEVYKOV-UHFFFAOYSA-N
XLogP0.86
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] furan-2-carboxylate
CID 2631632
4-O-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 9116888
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-formylbenzoate
CID 2504373
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-tert-butylbenzoate
CID 2631789
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-acetamidobenzoate
CID 7949805
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3,5-bis(trifluoromethyl)benzoate
CID 16526023
N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 1087305
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2488908
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
CID 2485105
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-7-carboxylate
CID 30156719
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193785
(2-benzamido-2-oxoethyl) pyridine-3-carboxylate
CID 9413804

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate?
The IUPAC name of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate (CID 9413781) is [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate.
What is the SMILES notation for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate?
The canonical SMILES for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate is O=C(COC(=O)c1cccnc1)NC(=O)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate?
The InChIKey is IFSAMHZXEVYKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5/c18-12(9-22-13(19)10-3-1-5-15-7-10)17-14(20)16-8-11-4-2-6-21-11/h1-7H,8-9H2,(H2,16,17,18,20).
What are the key properties of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate?
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate has a molecular weight of 303.27 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate is sourced from PubChem (CID 9413781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).