3-pyrimidin-5-ylpropanamide

C7H9N3O — CID 91363418

IUPAC3-pyrimidin-5-ylpropanamide
SMILESNC(=O)CCc1cncnc1
InChIInChI=1S/C7H9N3O/c8-7(11)2-1-6-3-9-5-10-4-6/h3-5H,1-2H2,(H2,8,11)
InChIKeyQJDVIGHQROQPHS-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.11
Rot. Bonds3

About 3-pyrimidin-5-ylpropanamide

3-pyrimidin-5-ylpropanamide (PubChem CID 91363418) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 3-pyrimidin-5-ylpropanamide.

Molecular Properties

Compound Name3-pyrimidin-5-ylpropanamide
PubChem CID91363418
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name3-pyrimidin-5-ylpropanamide
SMILESNC(=O)CCc1cncnc1
InChIInChI=1S/C7H9N3O/c8-7(11)2-1-6-3-9-5-10-4-6/h3-5H,1-2H2,(H2,8,11)
InChIKeyQJDVIGHQROQPHS-UHFFFAOYSA-N
XLogP-0.11
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(3-amino-3-oxopropyl)phenyl]propanamide
CID 102388205
methyl 3-pyrimidin-5-ylpropanoate
CID 18470121
3-(1H-pyrazol-4-yl)propanamide
CID 22405803
carbonic acid;3-phenylpropanamide
CID 174965682
2-(pyrimidin-5-ylmethylamino)oxyacetamide
CID 112672662
5-[2-[2,3,4,5,6-pentakis(2-pyrimidin-5-ylethyl)phenyl]ethyl]pyrimidine
CID 19870131
carbanide;3-phenylpropanamide;yttrium
CID 160557542
carbamothioic S-acid;pyrimidin-5-ylmethylcarbamothioic S-acid
CID 89413158
ethane;3-(4-methylphenyl)propanamide
CID 142510251
3-methyl-1-(3-pyrimidin-5-ylpropanoyl)azetidine-3-carboxylic acid
CID 167921042
1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-3-pyrimidin-5-ylpropan-1-one
CID 131683664
3-pyridin-4-yl-1-pyrimidin-5-ylpropan-1-one
CID 105085399

Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-5-ylpropanamide?
The IUPAC name of 3-pyrimidin-5-ylpropanamide (CID 91363418) is 3-pyrimidin-5-ylpropanamide.
What is the SMILES notation for 3-pyrimidin-5-ylpropanamide?
The canonical SMILES for 3-pyrimidin-5-ylpropanamide is NC(=O)CCc1cncnc1.
What is the InChIKey of 3-pyrimidin-5-ylpropanamide?
The InChIKey is QJDVIGHQROQPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c8-7(11)2-1-6-3-9-5-10-4-6/h3-5H,1-2H2,(H2,8,11).
What are the key properties of 3-pyrimidin-5-ylpropanamide?
3-pyrimidin-5-ylpropanamide has a molecular weight of 151.17 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-5-ylpropanamide is sourced from PubChem (CID 91363418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).