6-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

C16H14N4O2 — CID 44520975

IUPAC6-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccccn3)ncn2)o1
InChIInChI=1S/C16H14N4O2/c1-11-5-6-15(22-11)13-8-14(20-10-19-13)16(21)18-9-12-4-2-3-7-17-12/h2-8,10H,9H2,1H3,(H,18,21)
InChIKeyWIWUJNVPPHZIBJ-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.37
Rot. Bonds4

About 6-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

6-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 44520975) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 6-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID44520975
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name6-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccccn3)ncn2)o1
InChIInChI=1S/C16H14N4O2/c1-11-5-6-15(22-11)13-8-14(20-10-19-13)16(21)18-9-12-4-2-3-7-17-12/h2-8,10H,9H2,1H3,(H,18,21)
InChIKeyWIWUJNVPPHZIBJ-UHFFFAOYSA-N
XLogP2.37
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (CID 44520975) is 6-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is Cc1ccc(-c2cc(C(=O)NCc3ccccn3)ncn2)o1.
What is the InChIKey of 6-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is WIWUJNVPPHZIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-11-5-6-15(22-11)13-8-14(20-10-19-13)16(21)18-9-12-4-2-3-7-17-12/h2-8,10H,9H2,1H3,(H,18,21).
What are the key properties of 6-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
6-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 44520975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).