N-(furan-2-ylmethyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide

C19H20N4O5 — CID 109279444

IUPACN-(furan-2-ylmethyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide
SMILESCOc1cc(Nc2cnc(C(=O)NCc3ccco3)cn2)cc(OC)c1OC
InChIInChI=1S/C19H20N4O5/c1-25-15-7-12(8-16(26-2)18(15)27-3)23-17-11-20-14(10-21-17)19(24)22-9-13-5-4-6-28-13/h4-8,10-11H,9H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyZMSBNQPXLVXBMQ-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.77
Rot. Bonds8

About N-(furan-2-ylmethyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide

N-(furan-2-ylmethyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide (PubChem CID 109279444) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide
PubChem CID109279444
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC NameN-(furan-2-ylmethyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide
SMILESCOc1cc(Nc2cnc(C(=O)NCc3ccco3)cn2)cc(OC)c1OC
InChIInChI=1S/C19H20N4O5/c1-25-15-7-12(8-16(26-2)18(15)27-3)23-17-11-20-14(10-21-17)19(24)22-9-13-5-4-6-28-13/h4-8,10-11H,9H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyZMSBNQPXLVXBMQ-UHFFFAOYSA-N
XLogP2.77
TPSA107.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(furan-2-ylmethyl)-5-(2-methoxyanilino)pyrazine-2-carboxamide
CID 109279400
5-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 109279370
5-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 109279384
N-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyanilino)furo[3,2-c]pyridine-6-carboxamide
CID 53079850
5-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 109279368
5-(4-bromo-2-methylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 109279436
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 28638324
N-(4-methylphenyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide
CID 109290089
5-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187638
N-(furan-2-ylmethyl)-4-methoxyquinoline-2-carboxamide
CID 71824016
N-(furan-2-ylmethylcarbamothioyl)-3,4,5-trimethoxybenzamide
CID 1248224
2-(furan-2-ylmethylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide
CID 109169400

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide (CID 109279444) is N-(furan-2-ylmethyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide is COc1cc(Nc2cnc(C(=O)NCc3ccco3)cn2)cc(OC)c1OC.
What is the InChIKey of N-(furan-2-ylmethyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide?
The InChIKey is ZMSBNQPXLVXBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c1-25-15-7-12(8-16(26-2)18(15)27-3)23-17-11-20-14(10-21-17)19(24)22-9-13-5-4-6-28-13/h4-8,10-11H,9H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(furan-2-ylmethyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide?
N-(furan-2-ylmethyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide has a molecular weight of 384.39 g/mol, XLogP of 2.77, 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)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109279444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).