N-[(5-methoxy-1,3-dioxoinden-2-ylidene)amino]pyridine-4-carboxamide

C16H11N3O4 — CID 67710095

IUPACN-[(5-methoxy-1,3-dioxoinden-2-ylidene)amino]pyridine-4-carboxamide
SMILESCOc1ccc2c(=O)c(=NNC(=O)c3ccncc3)c(=O)c2c1
InChIInChI=1S/C16H11N3O4/c1-23-10-2-3-11-12(8-10)15(21)13(14(11)20)18-19-16(22)9-4-6-17-7-5-9/h2-8H,1H3,(H,19,22)
InChIKeyMXNWNLLWIFDXND-UHFFFAOYSA-N
MW309.28 g/mol
LogP0.09
Rot. Bonds3

About N-[(5-methoxy-1,3-dioxoinden-2-ylidene)amino]pyridine-4-carboxamide

N-[(5-methoxy-1,3-dioxoinden-2-ylidene)amino]pyridine-4-carboxamide (PubChem CID 67710095) has the molecular formula C16H11N3O4 and a molecular weight of 309.28 g/mol. Its IUPAC name is N-[(5-methoxy-1,3-dioxoinden-2-ylidene)amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-methoxy-1,3-dioxoinden-2-ylidene)amino]pyridine-4-carboxamide
PubChem CID67710095
Molecular FormulaC16H11N3O4
Molecular Weight309.28 g/mol
Exact Mass309.07
IUPAC NameN-[(5-methoxy-1,3-dioxoinden-2-ylidene)amino]pyridine-4-carboxamide
SMILESCOc1ccc2c(=O)c(=NNC(=O)c3ccncc3)c(=O)c2c1
InChIInChI=1S/C16H11N3O4/c1-23-10-2-3-11-12(8-10)15(21)13(14(11)20)18-19-16(22)9-4-6-17-7-5-9/h2-8H,1H3,(H,19,22)
InChIKeyMXNWNLLWIFDXND-UHFFFAOYSA-N
XLogP0.09
TPSA97.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1,3-dioxoinden-2-ylidene)amino]pyridine-4-carboxamide?
The IUPAC name of N-[(5-methoxy-1,3-dioxoinden-2-ylidene)amino]pyridine-4-carboxamide (CID 67710095) is N-[(5-methoxy-1,3-dioxoinden-2-ylidene)amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(5-methoxy-1,3-dioxoinden-2-ylidene)amino]pyridine-4-carboxamide?
The canonical SMILES for N-[(5-methoxy-1,3-dioxoinden-2-ylidene)amino]pyridine-4-carboxamide is COc1ccc2c(=O)c(=NNC(=O)c3ccncc3)c(=O)c2c1.
What is the InChIKey of N-[(5-methoxy-1,3-dioxoinden-2-ylidene)amino]pyridine-4-carboxamide?
The InChIKey is MXNWNLLWIFDXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O4/c1-23-10-2-3-11-12(8-10)15(21)13(14(11)20)18-19-16(22)9-4-6-17-7-5-9/h2-8H,1H3,(H,19,22).
What are the key properties of N-[(5-methoxy-1,3-dioxoinden-2-ylidene)amino]pyridine-4-carboxamide?
N-[(5-methoxy-1,3-dioxoinden-2-ylidene)amino]pyridine-4-carboxamide has a molecular weight of 309.28 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1,3-dioxoinden-2-ylidene)amino]pyridine-4-carboxamide is sourced from PubChem (CID 67710095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).