5-bromo-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide

C18H13BrN4O4 — CID 55787295

IUPAC5-bromo-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(NNC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)c1cccnc1
InChIInChI=1S/C18H13BrN4O4/c19-15-7-6-14(27-15)18(26)21-13-5-1-3-11(9-13)16(24)22-23-17(25)12-4-2-8-20-10-12/h1-10H,(H,21,26)(H,22,24)(H,23,25)
InChIKeyRUCDJTNYROHZQQ-UHFFFAOYSA-N
MW429.23 g/mol
LogP2.76
Rot. Bonds4

About 5-bromo-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide

5-bromo-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 55787295) has the molecular formula C18H13BrN4O4 and a molecular weight of 429.23 g/mol. Its IUPAC name is 5-bromo-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide
PubChem CID55787295
Molecular FormulaC18H13BrN4O4
Molecular Weight429.23 g/mol
Exact Mass428.01
IUPAC Name5-bromo-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(NNC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)c1cccnc1
InChIInChI=1S/C18H13BrN4O4/c19-15-7-6-14(27-15)18(26)21-13-5-1-3-11(9-13)16(24)22-23-17(25)12-4-2-8-20-10-12/h1-10H,(H,21,26)(H,22,24)(H,23,25)
InChIKeyRUCDJTNYROHZQQ-UHFFFAOYSA-N
XLogP2.76
TPSA113.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.23
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]pyridine-3-carboxamide
CID 78863694
5-bromo-N-[3-[propan-2-yl(pyridin-3-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 86847745
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 26158861
5-bromo-N-(3-carbamothioylphenyl)furan-2-carboxamide
CID 24691295
5-bromo-N-[3-[[3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55775222
5-bromo-N-[3-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55790317
5-bromo-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 24697212
5-bromo-N-[3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]phenyl]furan-2-carboxamide
CID 55786874
5-bromo-N-[3-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide
CID 9323689
5-bromo-N-[3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 46488415
5-bromo-N-(3-iodophenyl)furan-2-carboxamide
CID 7928389

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide (CID 55787295) is 5-bromo-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide is O=C(NNC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)c1cccnc1.
What is the InChIKey of 5-bromo-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is RUCDJTNYROHZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN4O4/c19-15-7-6-14(27-15)18(26)21-13-5-1-3-11(9-13)16(24)22-23-17(25)12-4-2-8-20-10-12/h1-10H,(H,21,26)(H,22,24)(H,23,25).
What are the key properties of 5-bromo-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide?
5-bromo-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 429.23 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55787295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).