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

C13H18N4O2 — CID 124939509

IUPAC(2S)-N-acetyl-2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide
SMILESCC(=O)NC(=O)[C@]1(CCCc2ccncn2)CCN1
InChIInChI=1S/C13H18N4O2/c1-10(18)17-12(19)13(6-8-16-13)5-2-3-11-4-7-14-9-15-11/h4,7,9,16H,2-3,5-6,8H2,1H3,(H,17,18,19)/t13-/m0/s1
InChIKeyAAASAMLRNJHXCS-ZDUSSCGKSA-N
MW262.31 g/mol
LogP0.19
Rot. Bonds5

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

(2S)-N-acetyl-2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide (PubChem CID 124939509) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is (2S)-N-acetyl-2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-acetyl-2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide
PubChem CID124939509
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name(2S)-N-acetyl-2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide
SMILESCC(=O)NC(=O)[C@]1(CCCc2ccncn2)CCN1
InChIInChI=1S/C13H18N4O2/c1-10(18)17-12(19)13(6-8-16-13)5-2-3-11-4-7-14-9-15-11/h4,7,9,16H,2-3,5-6,8H2,1H3,(H,17,18,19)/t13-/m0/s1
InChIKeyAAASAMLRNJHXCS-ZDUSSCGKSA-N
XLogP0.19
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-acetyl-2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide?
The IUPAC name of (2S)-N-acetyl-2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide (CID 124939509) is (2S)-N-acetyl-2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide.
What is the SMILES notation for (2S)-N-acetyl-2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide?
The canonical SMILES for (2S)-N-acetyl-2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide is CC(=O)NC(=O)[C@]1(CCCc2ccncn2)CCN1.
What is the InChIKey of (2S)-N-acetyl-2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide?
The InChIKey is AAASAMLRNJHXCS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-10(18)17-12(19)13(6-8-16-13)5-2-3-11-4-7-14-9-15-11/h4,7,9,16H,2-3,5-6,8H2,1H3,(H,17,18,19)/t13-/m0/s1.
What are the key properties of (2S)-N-acetyl-2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide?
(2S)-N-acetyl-2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-acetyl-2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide is sourced from PubChem (CID 124939509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).