2-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]furan-3-carboxamide

C13H13N3O2 — CID 6374067

IUPAC2-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]furan-3-carboxamide
SMILESC/C(=N/NC(=O)c1ccoc1C)c1ccncc1
InChIInChI=1S/C13H13N3O2/c1-9(11-3-6-14-7-4-11)15-16-13(17)12-5-8-18-10(12)2/h3-8H,1-2H3,(H,16,17)/b15-9-
InChIKeyCWGLTZALEUVWSU-DHDCSXOGSA-N
MW243.27 g/mol
LogP2.14
Rot. Bonds3

About 2-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]furan-3-carboxamide

2-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]furan-3-carboxamide (PubChem CID 6374067) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]furan-3-carboxamide
PubChem CID6374067
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]furan-3-carboxamide
SMILESC/C(=N/NC(=O)c1ccoc1C)c1ccncc1
InChIInChI=1S/C13H13N3O2/c1-9(11-3-6-14-7-4-11)15-16-13(17)12-5-8-18-10(12)2/h3-8H,1-2H3,(H,16,17)/b15-9-
InChIKeyCWGLTZALEUVWSU-DHDCSXOGSA-N
XLogP2.14
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]furan-3-carboxamide (CID 6374067) is 2-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]furan-3-carboxamide is C/C(=N/NC(=O)c1ccoc1C)c1ccncc1.
What is the InChIKey of 2-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]furan-3-carboxamide?
The InChIKey is CWGLTZALEUVWSU-DHDCSXOGSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-9(11-3-6-14-7-4-11)15-16-13(17)12-5-8-18-10(12)2/h3-8H,1-2H3,(H,16,17)/b15-9-.
What are the key properties of 2-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]furan-3-carboxamide?
2-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]furan-3-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]furan-3-carboxamide is sourced from PubChem (CID 6374067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).