3-hydroxy-N,N-dimethyl-4-[[2-[(5-methylfuran-2-yl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]pyridine-2-carboxamide

C18H18N4O5 — CID 70833686

IUPAC3-hydroxy-N,N-dimethyl-4-[[2-[(5-methylfuran-2-yl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]pyridine-2-carboxamide
SMILESCc1ccc(CNc2c(Nc3ccnc(C(=O)N(C)C)c3O)c(=O)c2=O)o1
InChIInChI=1S/C18H18N4O5/c1-9-4-5-10(27-9)8-20-12-13(17(25)16(12)24)21-11-6-7-19-14(15(11)23)18(26)22(2)3/h4-7,20,23H,8H2,1-3H3,(H,19,21)
InChIKeySDWGGFZFUAAKET-UHFFFAOYSA-N
MW370.37 g/mol
LogP1.34
Rot. Bonds6

About 3-hydroxy-N,N-dimethyl-4-[[2-[(5-methylfuran-2-yl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]pyridine-2-carboxamide

3-hydroxy-N,N-dimethyl-4-[[2-[(5-methylfuran-2-yl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]pyridine-2-carboxamide (PubChem CID 70833686) has the molecular formula C18H18N4O5 and a molecular weight of 370.37 g/mol. Its IUPAC name is 3-hydroxy-N,N-dimethyl-4-[[2-[(5-methylfuran-2-yl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N,N-dimethyl-4-[[2-[(5-methylfuran-2-yl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]pyridine-2-carboxamide
PubChem CID70833686
Molecular FormulaC18H18N4O5
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC Name3-hydroxy-N,N-dimethyl-4-[[2-[(5-methylfuran-2-yl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]pyridine-2-carboxamide
SMILESCc1ccc(CNc2c(Nc3ccnc(C(=O)N(C)C)c3O)c(=O)c2=O)o1
InChIInChI=1S/C18H18N4O5/c1-9-4-5-10(27-9)8-20-12-13(17(25)16(12)24)21-11-6-7-19-14(15(11)23)18(26)22(2)3/h4-7,20,23H,8H2,1-3H3,(H,19,21)
InChIKeySDWGGFZFUAAKET-UHFFFAOYSA-N
XLogP1.34
TPSA124.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-hydroxy-N,N-dimethyl-4-[[2-[(5-methylfuran-2-yl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N,N-dimethyl-4-[[2-[(5-methylfuran-2-yl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-N,N-dimethyl-4-[[2-[(5-methylfuran-2-yl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]pyridine-2-carboxamide (CID 70833686) is 3-hydroxy-N,N-dimethyl-4-[[2-[(5-methylfuran-2-yl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N,N-dimethyl-4-[[2-[(5-methylfuran-2-yl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-N,N-dimethyl-4-[[2-[(5-methylfuran-2-yl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]pyridine-2-carboxamide is Cc1ccc(CNc2c(Nc3ccnc(C(=O)N(C)C)c3O)c(=O)c2=O)o1.
What is the InChIKey of 3-hydroxy-N,N-dimethyl-4-[[2-[(5-methylfuran-2-yl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]pyridine-2-carboxamide?
The InChIKey is SDWGGFZFUAAKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5/c1-9-4-5-10(27-9)8-20-12-13(17(25)16(12)24)21-11-6-7-19-14(15(11)23)18(26)22(2)3/h4-7,20,23H,8H2,1-3H3,(H,19,21).
What are the key properties of 3-hydroxy-N,N-dimethyl-4-[[2-[(5-methylfuran-2-yl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]pyridine-2-carboxamide?
3-hydroxy-N,N-dimethyl-4-[[2-[(5-methylfuran-2-yl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]pyridine-2-carboxamide has a molecular weight of 370.37 g/mol, XLogP of 1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N,N-dimethyl-4-[[2-[(5-methylfuran-2-yl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 70833686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).