N-(3-fluoro-4-pyridinyl)-4-(propylamino)oxolane-3-carboxamide

C13H18FN3O2 — CID 107594898

IUPACN-(3-fluoro-4-pyridinyl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)Nc1ccncc1F
InChIInChI=1S/C13H18FN3O2/c1-2-4-16-12-8-19-7-9(12)13(18)17-11-3-5-15-6-10(11)14/h3,5-6,9,12,16H,2,4,7-8H2,1H3,(H,15,17,18)
InChIKeyWHUSWSOXEAEPPE-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.17
Rot. Bonds5

About N-(3-fluoro-4-pyridinyl)-4-(propylamino)oxolane-3-carboxamide

N-(3-fluoro-4-pyridinyl)-4-(propylamino)oxolane-3-carboxamide (PubChem CID 107594898) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-4-(propylamino)oxolane-3-carboxamide
PubChem CID107594898
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC NameN-(3-fluoro-4-pyridinyl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)Nc1ccncc1F
InChIInChI=1S/C13H18FN3O2/c1-2-4-16-12-8-19-7-9(12)13(18)17-11-3-5-15-6-10(11)14/h3,5-6,9,12,16H,2,4,7-8H2,1H3,(H,15,17,18)
InChIKeyWHUSWSOXEAEPPE-UHFFFAOYSA-N
XLogP1.17
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-4-(propylamino)oxolane-3-carboxamide (CID 107594898) is N-(3-fluoro-4-pyridinyl)-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)Nc1ccncc1F.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is WHUSWSOXEAEPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-2-4-16-12-8-19-7-9(12)13(18)17-11-3-5-15-6-10(11)14/h3,5-6,9,12,16H,2,4,7-8H2,1H3,(H,15,17,18).
What are the key properties of N-(3-fluoro-4-pyridinyl)-4-(propylamino)oxolane-3-carboxamide?
N-(3-fluoro-4-pyridinyl)-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 267.30 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 107594898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).