4-(4-bromo-3-methylanilino)-N-(furan-2-ylmethyl)-N-methylfuro[3,2-c]pyridine-6-carboxamide

C21H18BrN3O3 — CID 53079837

IUPAC4-(4-bromo-3-methylanilino)-N-(furan-2-ylmethyl)-N-methylfuro[3,2-c]pyridine-6-carboxamide
SMILESCc1cc(Nc2nc(C(=O)N(C)Cc3ccco3)cc3occc23)ccc1Br
InChIInChI=1S/C21H18BrN3O3/c1-13-10-14(5-6-17(13)22)23-20-16-7-9-28-19(16)11-18(24-20)21(26)25(2)12-15-4-3-8-27-15/h3-11H,12H2,1-2H3,(H,23,24)
InChIKeyMJCLVMJGCGUXCD-UHFFFAOYSA-N
MW440.30 g/mol
LogP5.51
Rot. Bonds5

About 4-(4-bromo-3-methylanilino)-N-(furan-2-ylmethyl)-N-methylfuro[3,2-c]pyridine-6-carboxamide

4-(4-bromo-3-methylanilino)-N-(furan-2-ylmethyl)-N-methylfuro[3,2-c]pyridine-6-carboxamide (PubChem CID 53079837) has the molecular formula C21H18BrN3O3 and a molecular weight of 440.30 g/mol. Its IUPAC name is 4-(4-bromo-3-methylanilino)-N-(furan-2-ylmethyl)-N-methylfuro[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name4-(4-bromo-3-methylanilino)-N-(furan-2-ylmethyl)-N-methylfuro[3,2-c]pyridine-6-carboxamide
PubChem CID53079837
Molecular FormulaC21H18BrN3O3
Molecular Weight440.30 g/mol
Exact Mass439.05
IUPAC Name4-(4-bromo-3-methylanilino)-N-(furan-2-ylmethyl)-N-methylfuro[3,2-c]pyridine-6-carboxamide
SMILESCc1cc(Nc2nc(C(=O)N(C)Cc3ccco3)cc3occc23)ccc1Br
InChIInChI=1S/C21H18BrN3O3/c1-13-10-14(5-6-17(13)22)23-20-16-7-9-28-19(16)11-18(24-20)21(26)25(2)12-15-4-3-8-27-15/h3-11H,12H2,1-2H3,(H,23,24)
InChIKeyMJCLVMJGCGUXCD-UHFFFAOYSA-N
XLogP5.51
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.30
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-bromo-3-methylanilino)-N-(furan-2-ylmethyl)-N-methylfuro[3,2-c]pyridine-6-carboxamide with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyanilino)furo[3,2-c]pyridine-6-carboxamide
CID 53079850
N-(furan-2-ylmethyl)-N-methyl-4-propan-2-yloxy-1-benzofuran-6-carboxamide
CID 71688772
N'-(4-bromo-3-methylphenyl)-N-(furan-2-ylmethyl)oxamide
CID 2985453
1-(1-acetylpiperidin-4-yl)-3-(4-bromo-3-methylphenyl)-1-(furan-2-ylmethyl)urea
CID 20908019
2-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 46388424
4-(3-chloro-4-methylanilino)-N-(3-ethoxypropyl)furo[3,2-c]pyridine-6-carboxamide
CID 53079738
2-amino-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 62787665
5-bromo-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide
CID 60629759
2-amino-N-(furan-2-ylmethyl)-N,5-dimethylbenzamide
CID 62072448
4-(4-chloroanilino)-N-(3-methylbutyl)furo[3,2-c]pyridine-6-carboxamide
CID 53079613
2-amino-4-bromo-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 79714273
N-(furan-2-ylmethyl)-N,2-dimethyl-5-methylsulfonylbenzamide
CID 27739527

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-methylanilino)-N-(furan-2-ylmethyl)-N-methylfuro[3,2-c]pyridine-6-carboxamide?
The IUPAC name of 4-(4-bromo-3-methylanilino)-N-(furan-2-ylmethyl)-N-methylfuro[3,2-c]pyridine-6-carboxamide (CID 53079837) is 4-(4-bromo-3-methylanilino)-N-(furan-2-ylmethyl)-N-methylfuro[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for 4-(4-bromo-3-methylanilino)-N-(furan-2-ylmethyl)-N-methylfuro[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for 4-(4-bromo-3-methylanilino)-N-(furan-2-ylmethyl)-N-methylfuro[3,2-c]pyridine-6-carboxamide is Cc1cc(Nc2nc(C(=O)N(C)Cc3ccco3)cc3occc23)ccc1Br.
What is the InChIKey of 4-(4-bromo-3-methylanilino)-N-(furan-2-ylmethyl)-N-methylfuro[3,2-c]pyridine-6-carboxamide?
The InChIKey is MJCLVMJGCGUXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3O3/c1-13-10-14(5-6-17(13)22)23-20-16-7-9-28-19(16)11-18(24-20)21(26)25(2)12-15-4-3-8-27-15/h3-11H,12H2,1-2H3,(H,23,24).
What are the key properties of 4-(4-bromo-3-methylanilino)-N-(furan-2-ylmethyl)-N-methylfuro[3,2-c]pyridine-6-carboxamide?
4-(4-bromo-3-methylanilino)-N-(furan-2-ylmethyl)-N-methylfuro[3,2-c]pyridine-6-carboxamide has a molecular weight of 440.30 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-methylanilino)-N-(furan-2-ylmethyl)-N-methylfuro[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 53079837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).