5-bromo-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide

C13H12BrN3O3 — CID 24982018

IUPAC5-bromo-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESCc1ccnc(NC(=O)CNC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C13H12BrN3O3/c1-8-4-5-15-11(6-8)17-12(18)7-16-13(19)9-2-3-10(14)20-9/h2-6H,7H2,1H3,(H,16,19)(H,15,17,18)
InChIKeySDRYQCDZLHGDHJ-UHFFFAOYSA-N
MW338.16 g/mol
LogP2.11
Rot. Bonds4

About 5-bromo-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 24982018) has the molecular formula C13H12BrN3O3 and a molecular weight of 338.16 g/mol. Its IUPAC name is 5-bromo-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID24982018
Molecular FormulaC13H12BrN3O3
Molecular Weight338.16 g/mol
Exact Mass337.01
IUPAC Name5-bromo-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESCc1ccnc(NC(=O)CNC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C13H12BrN3O3/c1-8-4-5-15-11(6-8)17-12(18)7-16-13(19)9-2-3-10(14)20-9/h2-6H,7H2,1H3,(H,16,19)(H,15,17,18)
InChIKeySDRYQCDZLHGDHJ-UHFFFAOYSA-N
XLogP2.11
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide (CID 24982018) is 5-bromo-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide is Cc1ccnc(NC(=O)CNC(=O)c2ccc(Br)o2)c1.
What is the InChIKey of 5-bromo-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is SDRYQCDZLHGDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O3/c1-8-4-5-15-11(6-8)17-12(18)7-16-13(19)9-2-3-10(14)20-9/h2-6H,7H2,1H3,(H,16,19)(H,15,17,18).
What are the key properties of 5-bromo-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 338.16 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 24982018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).