2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide

C11H16N4O — CID 110082445

IUPAC2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide
SMILESNC(=O)C1(CCCc2ccncn2)CCN1
InChIInChI=1S/C11H16N4O/c12-10(16)11(5-7-15-11)4-1-2-9-3-6-13-8-14-9/h3,6,8,15H,1-2,4-5,7H2,(H2,12,16)
InChIKeyCTFVEZGOYPMXKP-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.02
Rot. Bonds5

About 2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide

2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide (PubChem CID 110082445) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide.

Molecular Properties

Compound Name2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide
PubChem CID110082445
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide
SMILESNC(=O)C1(CCCc2ccncn2)CCN1
InChIInChI=1S/C11H16N4O/c12-10(16)11(5-7-15-11)4-1-2-9-3-6-13-8-14-9/h3,6,8,15H,1-2,4-5,7H2,(H2,12,16)
InChIKeyCTFVEZGOYPMXKP-UHFFFAOYSA-N
XLogP0.02
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide?
The IUPAC name of 2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide (CID 110082445) is 2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide.
What is the SMILES notation for 2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide?
The canonical SMILES for 2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide is NC(=O)C1(CCCc2ccncn2)CCN1.
What is the InChIKey of 2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide?
The InChIKey is CTFVEZGOYPMXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c12-10(16)11(5-7-15-11)4-1-2-9-3-6-13-8-14-9/h3,6,8,15H,1-2,4-5,7H2,(H2,12,16).
What are the key properties of 2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide?
2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide has a molecular weight of 220.28 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide is sourced from PubChem (CID 110082445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).