N-[(Z)-pyridin-2-ylmethylideneamino]oxolane-2-carboxamide

C11H13N3O2 — CID 6288025

IUPACN-[(Z)-pyridin-2-ylmethylideneamino]oxolane-2-carboxamide
SMILESO=C(N/N=C\c1ccccn1)C1CCCO1
InChIInChI=1S/C11H13N3O2/c15-11(10-5-3-7-16-10)14-13-8-9-4-1-2-6-12-9/h1-2,4,6,8,10H,3,5,7H2,(H,14,15)/b13-8-
InChIKeyLRHMZHDBTCGIPJ-JYRVWZFOSA-N
MW219.24 g/mol
LogP0.71
Rot. Bonds3

About N-[(Z)-pyridin-2-ylmethylideneamino]oxolane-2-carboxamide

N-[(Z)-pyridin-2-ylmethylideneamino]oxolane-2-carboxamide (PubChem CID 6288025) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-[(Z)-pyridin-2-ylmethylideneamino]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-pyridin-2-ylmethylideneamino]oxolane-2-carboxamide
PubChem CID6288025
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-[(Z)-pyridin-2-ylmethylideneamino]oxolane-2-carboxamide
SMILESO=C(N/N=C\c1ccccn1)C1CCCO1
InChIInChI=1S/C11H13N3O2/c15-11(10-5-3-7-16-10)14-13-8-9-4-1-2-6-12-9/h1-2,4,6,8,10H,3,5,7H2,(H,14,15)/b13-8-
InChIKeyLRHMZHDBTCGIPJ-JYRVWZFOSA-N
XLogP0.71
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.71
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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Related Compounds

CID 9554882
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CID 5084263
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CID 42905811
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CID 92262857
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CID 95907198
CID 95907198
CID 119033170
CID 119033170
CID 132354158
CID 132354158
CID 167212317
CID 167212317
CID 171823081
CID 171823081
CID 171823129
CID 171823129
CID 82817476
CID 82817476
CID 103789914
CID 103789914

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-pyridin-2-ylmethylideneamino]oxolane-2-carboxamide?
The IUPAC name of N-[(Z)-pyridin-2-ylmethylideneamino]oxolane-2-carboxamide (CID 6288025) is N-[(Z)-pyridin-2-ylmethylideneamino]oxolane-2-carboxamide.
What is the SMILES notation for N-[(Z)-pyridin-2-ylmethylideneamino]oxolane-2-carboxamide?
The canonical SMILES for N-[(Z)-pyridin-2-ylmethylideneamino]oxolane-2-carboxamide is O=C(N/N=C\c1ccccn1)C1CCCO1.
What is the InChIKey of N-[(Z)-pyridin-2-ylmethylideneamino]oxolane-2-carboxamide?
The InChIKey is LRHMZHDBTCGIPJ-JYRVWZFOSA-N. The full InChI is InChI=1S/C11H13N3O2/c15-11(10-5-3-7-16-10)14-13-8-9-4-1-2-6-12-9/h1-2,4,6,8,10H,3,5,7H2,(H,14,15)/b13-8-.
What are the key properties of N-[(Z)-pyridin-2-ylmethylideneamino]oxolane-2-carboxamide?
N-[(Z)-pyridin-2-ylmethylideneamino]oxolane-2-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-pyridin-2-ylmethylideneamino]oxolane-2-carboxamide is sourced from PubChem (CID 6288025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).