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

C13H18N4O2 — CID 127244755

IUPACN-acetyl-2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide
SMILESCC(=O)NC(=O)C1(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)
InChIKeyAAASAMLRNJHXCS-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.19
Rot. Bonds5

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

N-acetyl-2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide (PubChem CID 127244755) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-acetyl-2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide.

Molecular Properties

Compound NameN-acetyl-2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide
PubChem CID127244755
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-acetyl-2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide
SMILESCC(=O)NC(=O)C1(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)
InChIKeyAAASAMLRNJHXCS-UHFFFAOYSA-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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Related Compounds

N-(2-amino-2-oxoethyl)-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide
CID 110090164
2-[4-(4-cyclopentylpyrimidin-2-yl)piperazin-1-yl]-N-ethylacetamide
CID 56869498
N~2~-(4-cyclopentylpyrimidin-2-yl)-N~1~,N~2~-dimethylglycinamide
CID 56874933
(2S)-N,N,3-trimethyl-2-[(4-propan-2-ylpyrimidin-2-yl)amino]butanamide
CID 97205651
1-[(6S)-6-fluoro-6-methyl-1,4-diazepan-1-yl]-3-pyrimidin-4-ylpropan-1-one
CID 164638513
2-(3-Pyrimidin-4-ylpropyl)azetidine-2-carboxamide bis(trifluoroacetate)
CID 119057190
1-(6-Fluoro-6-methyl-1,4-diazepan-1-yl)-3-pyrimidin-4-ylpropan-1-one
CID 138001608
N-[1-[2-(2-cyclohexylacetyl)pyrimidin-4-yl]-2,2,2-trifluoroethyl]acetamide
CID 177481825
1-Tert-butyl-4-{[(4-cyclopentylpyrimidin-2-YL)amino]methyl}pyrrolidin-2-one
CID 56863632
N~2~-(4-cyclopentylpyrimidin-2-yl)-N~1~-isopropylglycinamide
CID 56873383
3-Ethyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one
CID 19987431
7,7-Dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one
CID 20590248

Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide?
The IUPAC name of N-acetyl-2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide (CID 127244755) is N-acetyl-2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide.
What is the SMILES notation for N-acetyl-2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide?
The canonical SMILES for N-acetyl-2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide is CC(=O)NC(=O)C1(CCCc2ccncn2)CCN1.
What is the InChIKey of N-acetyl-2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide?
The InChIKey is AAASAMLRNJHXCS-UHFFFAOYSA-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).
What are the key properties of N-acetyl-2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide?
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 N-acetyl-2-(3-pyrimidin-4-ylpropyl)azetidine-2-carboxamide is sourced from PubChem (CID 127244755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).