5-bromo-N-[3-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide

C18H14BrN3O3 — CID 55790317

IUPAC5-bromo-N-[3-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)nc1
InChIInChI=1S/C18H14BrN3O3/c1-11-5-8-16(20-10-11)22-17(23)12-3-2-4-13(9-12)21-18(24)14-6-7-15(19)25-14/h2-10H,1H3,(H,21,24)(H,20,22,23)
InChIKeyCVNGQIOSEMMHJW-UHFFFAOYSA-N
MW400.23 g/mol
LogP4.25
Rot. Bonds4

About 5-bromo-N-[3-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide

5-bromo-N-[3-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 55790317) has the molecular formula C18H14BrN3O3 and a molecular weight of 400.23 g/mol. Its IUPAC name is 5-bromo-N-[3-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide
PubChem CID55790317
Molecular FormulaC18H14BrN3O3
Molecular Weight400.23 g/mol
Exact Mass399.02
IUPAC Name5-bromo-N-[3-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)nc1
InChIInChI=1S/C18H14BrN3O3/c1-11-5-8-16(20-10-11)22-17(23)12-3-2-4-13(9-12)21-18(24)14-6-7-15(19)25-14/h2-10H,1H3,(H,21,24)(H,20,22,23)
InChIKeyCVNGQIOSEMMHJW-UHFFFAOYSA-N
XLogP4.25
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.23
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1047401
3-(2,2-dimethylpropanoylamino)-N-(5-methyl-2-pyridinyl)benzamide
CID 35344360
5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 26158861
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
5-bromo-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide
CID 55787295
5-bromo-N-[3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 46488415
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
[3-[[3-[(5-bromofuran-2-carbonyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108927816
5-bromo-N-[3-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide
CID 9323689
5-bromo-N-(3-carbamothioylphenyl)furan-2-carboxamide
CID 24691295
5-bromo-N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55770830

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide (CID 55790317) is 5-bromo-N-[3-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide is Cc1ccc(NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)nc1.
What is the InChIKey of 5-bromo-N-[3-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is CVNGQIOSEMMHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O3/c1-11-5-8-16(20-10-11)22-17(23)12-3-2-4-13(9-12)21-18(24)14-6-7-15(19)25-14/h2-10H,1H3,(H,21,24)(H,20,22,23).
What are the key properties of 5-bromo-N-[3-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide?
5-bromo-N-[3-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 400.23 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55790317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).