5-(5-methylfuran-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide

C15H17N5O2 — CID 178202265

IUPAC5-(5-methylfuran-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide
SMILESCc1ccc(C2CC(C(=O)N/N=C/c3cccnc3)NN2)o1
InChIInChI=1S/C15H17N5O2/c1-10-4-5-14(22-10)12-7-13(19-18-12)15(21)20-17-9-11-3-2-6-16-8-11/h2-6,8-9,12-13,18-19H,7H2,1H3,(H,20,21)/b17-9+
InChIKeyDCSVILDJZYXBCK-RQZCQDPDSA-N
MW299.33 g/mol
LogP1.04
Rot. Bonds4

About 5-(5-methylfuran-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide

5-(5-methylfuran-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide (PubChem CID 178202265) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(5-methylfuran-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide
PubChem CID178202265
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name5-(5-methylfuran-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide
SMILESCc1ccc(C2CC(C(=O)N/N=C/c3cccnc3)NN2)o1
InChIInChI=1S/C15H17N5O2/c1-10-4-5-14(22-10)12-7-13(19-18-12)15(21)20-17-9-11-3-2-6-16-8-11/h2-6,8-9,12-13,18-19H,7H2,1H3,(H,20,21)/b17-9+
InChIKeyDCSVILDJZYXBCK-RQZCQDPDSA-N
XLogP1.04
TPSA91.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Related Compounds

5-(1-methylpyrrol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide
CID 45053622
5-(4-ethoxy-3-methoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide
CID 52963464
5-(5-methylfuran-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide
CID 5402591
N-[(E)-(4-methoxyphenyl)methylideneamino]-5-phenylpyrazolidine-3-carboxamide
CID 178189290
6-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-3-carboxamide
CID 6070249
2-N,5-N-bis(pyridin-3-ylmethylideneamino)furan-2,5-dicarboxamide
CID 4674781
N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide
CID 4208581
ethyl N-[(Z)-pyridin-3-ylmethylideneamino]carbamate
CID 5407780
2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-4-carboxamide
CID 24839706
(3R,4S)-2-oxo-4-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]pyrrolidine-3-carboxamide
CID 39858118
2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-N-(pyridin-3-ylmethylideneamino)acetamide
CID 3787566
2-[(4S)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 5402530

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide?
The IUPAC name of 5-(5-methylfuran-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide (CID 178202265) is 5-(5-methylfuran-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(5-methylfuran-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(5-methylfuran-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide is Cc1ccc(C2CC(C(=O)N/N=C/c3cccnc3)NN2)o1.
What is the InChIKey of 5-(5-methylfuran-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide?
The InChIKey is DCSVILDJZYXBCK-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-10-4-5-14(22-10)12-7-13(19-18-12)15(21)20-17-9-11-3-2-6-16-8-11/h2-6,8-9,12-13,18-19H,7H2,1H3,(H,20,21)/b17-9+.
What are the key properties of 5-(5-methylfuran-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide?
5-(5-methylfuran-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide is sourced from PubChem (CID 178202265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).