N-(4-pyrimidin-2-yloxycyclohexyl)furan-3-carboxamide

C15H17N3O3 — CID 91626289

IUPACN-(4-pyrimidin-2-yloxycyclohexyl)furan-3-carboxamide
SMILESO=C(NC1CCC(Oc2ncccn2)CC1)c1ccoc1
InChIInChI=1S/C15H17N3O3/c19-14(11-6-9-20-10-11)18-12-2-4-13(5-3-12)21-15-16-7-1-8-17-15/h1,6-10,12-13H,2-5H2,(H,18,19)
InChIKeyYWLFJIIAMUUKBQ-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.19
Rot. Bonds4

About N-(4-pyrimidin-2-yloxycyclohexyl)furan-3-carboxamide

N-(4-pyrimidin-2-yloxycyclohexyl)furan-3-carboxamide (PubChem CID 91626289) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(4-pyrimidin-2-yloxycyclohexyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(4-pyrimidin-2-yloxycyclohexyl)furan-3-carboxamide
PubChem CID91626289
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-(4-pyrimidin-2-yloxycyclohexyl)furan-3-carboxamide
SMILESO=C(NC1CCC(Oc2ncccn2)CC1)c1ccoc1
InChIInChI=1S/C15H17N3O3/c19-14(11-6-9-20-10-11)18-12-2-4-13(5-3-12)21-15-16-7-1-8-17-15/h1,6-10,12-13H,2-5H2,(H,18,19)
InChIKeyYWLFJIIAMUUKBQ-UHFFFAOYSA-N
XLogP2.19
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-pyrimidin-2-yloxycyclohexyl)furan-3-carboxamide?
The IUPAC name of N-(4-pyrimidin-2-yloxycyclohexyl)furan-3-carboxamide (CID 91626289) is N-(4-pyrimidin-2-yloxycyclohexyl)furan-3-carboxamide.
What is the SMILES notation for N-(4-pyrimidin-2-yloxycyclohexyl)furan-3-carboxamide?
The canonical SMILES for N-(4-pyrimidin-2-yloxycyclohexyl)furan-3-carboxamide is O=C(NC1CCC(Oc2ncccn2)CC1)c1ccoc1.
What is the InChIKey of N-(4-pyrimidin-2-yloxycyclohexyl)furan-3-carboxamide?
The InChIKey is YWLFJIIAMUUKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-14(11-6-9-20-10-11)18-12-2-4-13(5-3-12)21-15-16-7-1-8-17-15/h1,6-10,12-13H,2-5H2,(H,18,19).
What are the key properties of N-(4-pyrimidin-2-yloxycyclohexyl)furan-3-carboxamide?
N-(4-pyrimidin-2-yloxycyclohexyl)furan-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrimidin-2-yloxycyclohexyl)furan-3-carboxamide is sourced from PubChem (CID 91626289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).