N-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyanilino)furo[3,2-c]pyridine-6-carboxamide

C22H21N3O6 — CID 53079850

IUPACN-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyanilino)furo[3,2-c]pyridine-6-carboxamide
SMILESCOc1cc(Nc2nc(C(=O)NCc3ccco3)cc3occc23)cc(OC)c1OC
InChIInChI=1S/C22H21N3O6/c1-27-18-9-13(10-19(28-2)20(18)29-3)24-21-15-6-8-31-17(15)11-16(25-21)22(26)23-12-14-5-4-7-30-14/h4-11H,12H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyJHHIZJFIFQSKFU-UHFFFAOYSA-N
MW423.43 g/mol
LogP4.12
Rot. Bonds8

About N-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyanilino)furo[3,2-c]pyridine-6-carboxamide

N-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyanilino)furo[3,2-c]pyridine-6-carboxamide (PubChem CID 53079850) has the molecular formula C22H21N3O6 and a molecular weight of 423.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyanilino)furo[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyanilino)furo[3,2-c]pyridine-6-carboxamide
PubChem CID53079850
Molecular FormulaC22H21N3O6
Molecular Weight423.43 g/mol
Exact Mass423.14
IUPAC NameN-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyanilino)furo[3,2-c]pyridine-6-carboxamide
SMILESCOc1cc(Nc2nc(C(=O)NCc3ccco3)cc3occc23)cc(OC)c1OC
InChIInChI=1S/C22H21N3O6/c1-27-18-9-13(10-19(28-2)20(18)29-3)24-21-15-6-8-31-17(15)11-16(25-21)22(26)23-12-14-5-4-7-30-14/h4-11H,12H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyJHHIZJFIFQSKFU-UHFFFAOYSA-N
XLogP4.12
TPSA107.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(furan-2-ylmethyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide
CID 109279444
N-(furan-2-ylmethyl)-4-methoxyquinoline-2-carboxamide
CID 71824016
2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(furan-2-ylmethyl)acetamide
CID 113179129
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 28638324
N-(furan-2-ylmethyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109327013
N-(furan-2-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)acetamide
CID 110767919
6-(3,5-dimethylanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
CID 109368142
N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide
CID 1089288
N-(furan-2-ylmethylcarbamothioyl)-3,4,5-trimethoxybenzamide
CID 1248224
5-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187638
6-N-(furan-2-ylmethyl)-2-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
CID 112871463
2-[(3,4-dimethoxyphenyl)methylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303450

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyanilino)furo[3,2-c]pyridine-6-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyanilino)furo[3,2-c]pyridine-6-carboxamide (CID 53079850) is N-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyanilino)furo[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyanilino)furo[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyanilino)furo[3,2-c]pyridine-6-carboxamide is COc1cc(Nc2nc(C(=O)NCc3ccco3)cc3occc23)cc(OC)c1OC.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyanilino)furo[3,2-c]pyridine-6-carboxamide?
The InChIKey is JHHIZJFIFQSKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O6/c1-27-18-9-13(10-19(28-2)20(18)29-3)24-21-15-6-8-31-17(15)11-16(25-21)22(26)23-12-14-5-4-7-30-14/h4-11H,12H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of N-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyanilino)furo[3,2-c]pyridine-6-carboxamide?
N-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyanilino)furo[3,2-c]pyridine-6-carboxamide has a molecular weight of 423.43 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyanilino)furo[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 53079850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).