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

C11H16N4O — CID 124842824

IUPAC(2S)-2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide
SMILESNC(=O)[C@]1(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)/t11-/m0/s1
InChIKeyCTFVEZGOYPMXKP-NSHDSACASA-N
MW220.28 g/mol
LogP0.02
Rot. Bonds5

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

(2S)-2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide (PubChem CID 124842824) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is (2S)-2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide
PubChem CID124842824
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name(2S)-2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide
SMILESNC(=O)[C@]1(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)/t11-/m0/s1
InChIKeyCTFVEZGOYPMXKP-NSHDSACASA-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 (2S)-2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide?
The IUPAC name of (2S)-2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide (CID 124842824) is (2S)-2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide.
What is the SMILES notation for (2S)-2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide?
The canonical SMILES for (2S)-2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide is NC(=O)[C@]1(CCCc2ccncn2)CCN1.
What is the InChIKey of (2S)-2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide?
The InChIKey is CTFVEZGOYPMXKP-NSHDSACASA-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)/t11-/m0/s1.
What are the key properties of (2S)-2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide?
(2S)-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 (2S)-2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide is sourced from PubChem (CID 124842824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).