N,7-bis(furan-2-ylmethyl)-1,3-dimethyl-2,4-dioxo-4aH-pyrrolo[2,3-d]pyrimidin-7-ium-6-carboxamide

C19H19N4O5+ — CID 74782434

IUPACN,7-bis(furan-2-ylmethyl)-1,3-dimethyl-2,4-dioxo-4aH-pyrrolo[2,3-d]pyrimidin-7-ium-6-carboxamide
SMILESCN1C(=O)C2C=C(C(=O)NCc3ccco3)[N+](Cc3ccco3)=C2N(C)C1=O
InChIInChI=1S/C19H18N4O5/c1-21-17-14(18(25)22(2)19(21)26)9-15(23(17)11-13-6-4-8-28-13)16(24)20-10-12-5-3-7-27-12/h3-9,14H,10-11H2,1-2H3/p+1
InChIKeyPHXMXVRONMRMEF-UHFFFAOYSA-O
MW383.38 g/mol
LogP1.14
Rot. Bonds5

About N,7-bis(furan-2-ylmethyl)-1,3-dimethyl-2,4-dioxo-4aH-pyrrolo[2,3-d]pyrimidin-7-ium-6-carboxamide

N,7-bis(furan-2-ylmethyl)-1,3-dimethyl-2,4-dioxo-4aH-pyrrolo[2,3-d]pyrimidin-7-ium-6-carboxamide (PubChem CID 74782434) has the molecular formula C19H19N4O5+ and a molecular weight of 383.38 g/mol. Its IUPAC name is N,7-bis(furan-2-ylmethyl)-1,3-dimethyl-2,4-dioxo-4aH-pyrrolo[2,3-d]pyrimidin-7-ium-6-carboxamide.

Molecular Properties

Compound NameN,7-bis(furan-2-ylmethyl)-1,3-dimethyl-2,4-dioxo-4aH-pyrrolo[2,3-d]pyrimidin-7-ium-6-carboxamide
PubChem CID74782434
Molecular FormulaC19H19N4O5+
Molecular Weight383.38 g/mol
Exact Mass383.13
IUPAC NameN,7-bis(furan-2-ylmethyl)-1,3-dimethyl-2,4-dioxo-4aH-pyrrolo[2,3-d]pyrimidin-7-ium-6-carboxamide
SMILESCN1C(=O)C2C=C(C(=O)NCc3ccco3)[N+](Cc3ccco3)=C2N(C)C1=O
InChIInChI=1S/C19H18N4O5/c1-21-17-14(18(25)22(2)19(21)26)9-15(23(17)11-13-6-4-8-28-13)16(24)20-10-12-5-3-7-27-12/h3-9,14H,10-11H2,1-2H3/p+1
InChIKeyPHXMXVRONMRMEF-UHFFFAOYSA-O
XLogP1.14
TPSA99.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

7-butyl-N-(furan-2-ylmethyl)-1,3-dimethyl-2,4-dioxo-4aH-pyrrolo[2,3-d]pyrimidin-7-ium-6-carboxamide
CID 74782539
N-(furan-2-ylmethyl)-5-methyl-1,3-thiazole-2-carboxamide
CID 70669405
N-(furan-2-ylmethyl)acetamide
CID 2394850
4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 27649984
4-N-tert-butyl-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 48845379
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-(furan-2-ylmethyl)-1-methyl-4-[(1-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxamide
CID 19474684
N-(furan-2-ylmethyl)-2-methylfuran-3-carboxamide
CID 845080
4-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 19477079
2-amino-N-(furan-2-ylmethyl)acetamide
CID 7130773
N-(furan-2-ylmethyl)-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide
CID 3243455
1-ethyl-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 19472218

Frequently Asked Questions

What is the IUPAC name of N,7-bis(furan-2-ylmethyl)-1,3-dimethyl-2,4-dioxo-4aH-pyrrolo[2,3-d]pyrimidin-7-ium-6-carboxamide?
The IUPAC name of N,7-bis(furan-2-ylmethyl)-1,3-dimethyl-2,4-dioxo-4aH-pyrrolo[2,3-d]pyrimidin-7-ium-6-carboxamide (CID 74782434) is N,7-bis(furan-2-ylmethyl)-1,3-dimethyl-2,4-dioxo-4aH-pyrrolo[2,3-d]pyrimidin-7-ium-6-carboxamide.
What is the SMILES notation for N,7-bis(furan-2-ylmethyl)-1,3-dimethyl-2,4-dioxo-4aH-pyrrolo[2,3-d]pyrimidin-7-ium-6-carboxamide?
The canonical SMILES for N,7-bis(furan-2-ylmethyl)-1,3-dimethyl-2,4-dioxo-4aH-pyrrolo[2,3-d]pyrimidin-7-ium-6-carboxamide is CN1C(=O)C2C=C(C(=O)NCc3ccco3)[N+](Cc3ccco3)=C2N(C)C1=O.
What is the InChIKey of N,7-bis(furan-2-ylmethyl)-1,3-dimethyl-2,4-dioxo-4aH-pyrrolo[2,3-d]pyrimidin-7-ium-6-carboxamide?
The InChIKey is PHXMXVRONMRMEF-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H18N4O5/c1-21-17-14(18(25)22(2)19(21)26)9-15(23(17)11-13-6-4-8-28-13)16(24)20-10-12-5-3-7-27-12/h3-9,14H,10-11H2,1-2H3/p+1.
What are the key properties of N,7-bis(furan-2-ylmethyl)-1,3-dimethyl-2,4-dioxo-4aH-pyrrolo[2,3-d]pyrimidin-7-ium-6-carboxamide?
N,7-bis(furan-2-ylmethyl)-1,3-dimethyl-2,4-dioxo-4aH-pyrrolo[2,3-d]pyrimidin-7-ium-6-carboxamide has a molecular weight of 383.38 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-bis(furan-2-ylmethyl)-1,3-dimethyl-2,4-dioxo-4aH-pyrrolo[2,3-d]pyrimidin-7-ium-6-carboxamide is sourced from PubChem (CID 74782434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).