2-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile

C17H17N5O3 — CID 122252469

IUPAC2-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile
SMILESCc1ncn(CC(=O)N2CC(Oc3cc(C#N)ccn3)C2)c(=O)c1C
InChIInChI=1S/C17H17N5O3/c1-11-12(2)20-10-22(17(11)24)9-16(23)21-7-14(8-21)25-15-5-13(6-18)3-4-19-15/h3-5,10,14H,7-9H2,1-2H3
InChIKeyQUKOZJSYELEFAZ-UHFFFAOYSA-N
MW339.36 g/mol
LogP0.42
Rot. Bonds4

About 2-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile

2-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile (PubChem CID 122252469) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 2-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile
PubChem CID122252469
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name2-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile
SMILESCc1ncn(CC(=O)N2CC(Oc3cc(C#N)ccn3)C2)c(=O)c1C
InChIInChI=1S/C17H17N5O3/c1-11-12(2)20-10-22(17(11)24)9-16(23)21-7-14(8-21)25-15-5-13(6-18)3-4-19-15/h3-5,10,14H,7-9H2,1-2H3
InChIKeyQUKOZJSYELEFAZ-UHFFFAOYSA-N
XLogP0.42
TPSA101.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile?
The IUPAC name of 2-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile (CID 122252469) is 2-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile.
What is the SMILES notation for 2-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile?
The canonical SMILES for 2-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile is Cc1ncn(CC(=O)N2CC(Oc3cc(C#N)ccn3)C2)c(=O)c1C.
What is the InChIKey of 2-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile?
The InChIKey is QUKOZJSYELEFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-11-12(2)20-10-22(17(11)24)9-16(23)21-7-14(8-21)25-15-5-13(6-18)3-4-19-15/h3-5,10,14H,7-9H2,1-2H3.
What are the key properties of 2-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile?
2-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile has a molecular weight of 339.36 g/mol, XLogP of 0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile is sourced from PubChem (CID 122252469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).