N-(4-pyrimidin-2-yloxan-4-yl)furan-3-carboxamide

C14H15N3O3 — CID 138024801

IUPACN-(4-pyrimidin-2-yloxan-4-yl)furan-3-carboxamide
SMILESO=C(NC1(c2ncccn2)CCOCC1)c1ccoc1
InChIInChI=1S/C14H15N3O3/c18-12(11-2-7-20-10-11)17-14(3-8-19-9-4-14)13-15-5-1-6-16-13/h1-2,5-7,10H,3-4,8-9H2,(H,17,18)
InChIKeyKVVBEDXMTOYMFR-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.51
Rot. Bonds3

About N-(4-pyrimidin-2-yloxan-4-yl)furan-3-carboxamide

N-(4-pyrimidin-2-yloxan-4-yl)furan-3-carboxamide (PubChem CID 138024801) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-(4-pyrimidin-2-yloxan-4-yl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(4-pyrimidin-2-yloxan-4-yl)furan-3-carboxamide
PubChem CID138024801
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-(4-pyrimidin-2-yloxan-4-yl)furan-3-carboxamide
SMILESO=C(NC1(c2ncccn2)CCOCC1)c1ccoc1
InChIInChI=1S/C14H15N3O3/c18-12(11-2-7-20-10-11)17-14(3-8-19-9-4-14)13-15-5-1-6-16-13/h1-2,5-7,10H,3-4,8-9H2,(H,17,18)
InChIKeyKVVBEDXMTOYMFR-UHFFFAOYSA-N
XLogP1.51
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.51
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-yloxan-4-yl)furan-3-carboxamide?
The IUPAC name of N-(4-pyrimidin-2-yloxan-4-yl)furan-3-carboxamide (CID 138024801) is N-(4-pyrimidin-2-yloxan-4-yl)furan-3-carboxamide.
What is the SMILES notation for N-(4-pyrimidin-2-yloxan-4-yl)furan-3-carboxamide?
The canonical SMILES for N-(4-pyrimidin-2-yloxan-4-yl)furan-3-carboxamide is O=C(NC1(c2ncccn2)CCOCC1)c1ccoc1.
What is the InChIKey of N-(4-pyrimidin-2-yloxan-4-yl)furan-3-carboxamide?
The InChIKey is KVVBEDXMTOYMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-12(11-2-7-20-10-11)17-14(3-8-19-9-4-14)13-15-5-1-6-16-13/h1-2,5-7,10H,3-4,8-9H2,(H,17,18).
What are the key properties of N-(4-pyrimidin-2-yloxan-4-yl)furan-3-carboxamide?
N-(4-pyrimidin-2-yloxan-4-yl)furan-3-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrimidin-2-yloxan-4-yl)furan-3-carboxamide is sourced from PubChem (CID 138024801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).