N-[2-(5-methylfuran-2-yl)-6-pyridin-2-ylpyrimidin-4-yl]propanamide

C17H16N4O2 — CID 143309402

IUPACN-[2-(5-methylfuran-2-yl)-6-pyridin-2-ylpyrimidin-4-yl]propanamide
SMILESCCC(=O)Nc1cc(-c2ccccn2)nc(-c2ccc(C)o2)n1
InChIInChI=1S/C17H16N4O2/c1-3-16(22)20-15-10-13(12-6-4-5-9-18-12)19-17(21-15)14-8-7-11(2)23-14/h4-10H,3H2,1-2H3,(H,19,20,21,22)
InChIKeyLZRNIVLMKQAINP-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.46
Rot. Bonds4

About N-[2-(5-methylfuran-2-yl)-6-pyridin-2-ylpyrimidin-4-yl]propanamide

N-[2-(5-methylfuran-2-yl)-6-pyridin-2-ylpyrimidin-4-yl]propanamide (PubChem CID 143309402) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[2-(5-methylfuran-2-yl)-6-pyridin-2-ylpyrimidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[2-(5-methylfuran-2-yl)-6-pyridin-2-ylpyrimidin-4-yl]propanamide
PubChem CID143309402
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-[2-(5-methylfuran-2-yl)-6-pyridin-2-ylpyrimidin-4-yl]propanamide
SMILESCCC(=O)Nc1cc(-c2ccccn2)nc(-c2ccc(C)o2)n1
InChIInChI=1S/C17H16N4O2/c1-3-16(22)20-15-10-13(12-6-4-5-9-18-12)19-17(21-15)14-8-7-11(2)23-14/h4-10H,3H2,1-2H3,(H,19,20,21,22)
InChIKeyLZRNIVLMKQAINP-UHFFFAOYSA-N
XLogP3.46
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylfuran-2-yl)-6-pyridin-2-ylpyrimidin-4-yl]propanamide?
The IUPAC name of N-[2-(5-methylfuran-2-yl)-6-pyridin-2-ylpyrimidin-4-yl]propanamide (CID 143309402) is N-[2-(5-methylfuran-2-yl)-6-pyridin-2-ylpyrimidin-4-yl]propanamide.
What is the SMILES notation for N-[2-(5-methylfuran-2-yl)-6-pyridin-2-ylpyrimidin-4-yl]propanamide?
The canonical SMILES for N-[2-(5-methylfuran-2-yl)-6-pyridin-2-ylpyrimidin-4-yl]propanamide is CCC(=O)Nc1cc(-c2ccccn2)nc(-c2ccc(C)o2)n1.
What is the InChIKey of N-[2-(5-methylfuran-2-yl)-6-pyridin-2-ylpyrimidin-4-yl]propanamide?
The InChIKey is LZRNIVLMKQAINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-3-16(22)20-15-10-13(12-6-4-5-9-18-12)19-17(21-15)14-8-7-11(2)23-14/h4-10H,3H2,1-2H3,(H,19,20,21,22).
What are the key properties of N-[2-(5-methylfuran-2-yl)-6-pyridin-2-ylpyrimidin-4-yl]propanamide?
N-[2-(5-methylfuran-2-yl)-6-pyridin-2-ylpyrimidin-4-yl]propanamide has a molecular weight of 308.34 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylfuran-2-yl)-6-pyridin-2-ylpyrimidin-4-yl]propanamide is sourced from PubChem (CID 143309402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).