N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide

C13H13N3O3 — CID 24981899

IUPACN-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESCc1cccc(NC(=O)CNC(=O)c2ccco2)n1
InChIInChI=1S/C13H13N3O3/c1-9-4-2-6-11(15-9)16-12(17)8-14-13(18)10-5-3-7-19-10/h2-7H,8H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyOZJBSILFCDEUJD-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.35
Rot. Bonds4

About N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide

N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 24981899) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID24981899
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC NameN-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESCc1cccc(NC(=O)CNC(=O)c2ccco2)n1
InChIInChI=1S/C13H13N3O3/c1-9-4-2-6-11(15-9)16-12(17)8-14-13(18)10-5-3-7-19-10/h2-7H,8H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyOZJBSILFCDEUJD-UHFFFAOYSA-N
XLogP1.35
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide (CID 24981899) is N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide is Cc1cccc(NC(=O)CNC(=O)c2ccco2)n1.
What is the InChIKey of N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is OZJBSILFCDEUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-9-4-2-6-11(15-9)16-12(17)8-14-13(18)10-5-3-7-19-10/h2-7H,8H2,1H3,(H,14,18)(H,15,16,17).
What are the key properties of N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 259.26 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 24981899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).