N-[3-(pyridin-3-ylamino)propyl]oxolane-2-carboxamide

C13H19N3O2 — CID 91761076

IUPACN-[3-(pyridin-3-ylamino)propyl]oxolane-2-carboxamide
SMILESO=C(NCCCNc1cccnc1)C1CCCO1
InChIInChI=1S/C13H19N3O2/c17-13(12-5-2-9-18-12)16-8-3-7-15-11-4-1-6-14-10-11/h1,4,6,10,12,15H,2-3,5,7-9H2,(H,16,17)
InChIKeyFMNHZAGDQZOEFG-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.18
Rot. Bonds6

About N-[3-(pyridin-3-ylamino)propyl]oxolane-2-carboxamide

N-[3-(pyridin-3-ylamino)propyl]oxolane-2-carboxamide (PubChem CID 91761076) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[3-(pyridin-3-ylamino)propyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(pyridin-3-ylamino)propyl]oxolane-2-carboxamide
PubChem CID91761076
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[3-(pyridin-3-ylamino)propyl]oxolane-2-carboxamide
SMILESO=C(NCCCNc1cccnc1)C1CCCO1
InChIInChI=1S/C13H19N3O2/c17-13(12-5-2-9-18-12)16-8-3-7-15-11-4-1-6-14-10-11/h1,4,6,10,12,15H,2-3,5,7-9H2,(H,16,17)
InChIKeyFMNHZAGDQZOEFG-UHFFFAOYSA-N
XLogP1.18
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(pyridin-3-ylamino)propyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-(pyridin-3-ylamino)propyl]oxolane-2-carboxamide (CID 91761076) is N-[3-(pyridin-3-ylamino)propyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-(pyridin-3-ylamino)propyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-(pyridin-3-ylamino)propyl]oxolane-2-carboxamide is O=C(NCCCNc1cccnc1)C1CCCO1.
What is the InChIKey of N-[3-(pyridin-3-ylamino)propyl]oxolane-2-carboxamide?
The InChIKey is FMNHZAGDQZOEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-13(12-5-2-9-18-12)16-8-3-7-15-11-4-1-6-14-10-11/h1,4,6,10,12,15H,2-3,5,7-9H2,(H,16,17).
What are the key properties of N-[3-(pyridin-3-ylamino)propyl]oxolane-2-carboxamide?
N-[3-(pyridin-3-ylamino)propyl]oxolane-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyridin-3-ylamino)propyl]oxolane-2-carboxamide is sourced from PubChem (CID 91761076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).