N-(2-pyridin-3-ylpyrimidin-4-yl)propanamide

C12H12N4O — CID 1488512

IUPACN-(2-pyridin-3-ylpyrimidin-4-yl)propanamide
SMILESCCC(=O)Nc1ccnc(-c2cccnc2)n1
InChIInChI=1S/C12H12N4O/c1-2-11(17)15-10-5-7-14-12(16-10)9-4-3-6-13-8-9/h3-8H,2H2,1H3,(H,14,15,16,17)
InChIKeyGLNLHTHXORPIAX-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.89
Rot. Bonds3

About N-(2-pyridin-3-ylpyrimidin-4-yl)propanamide

N-(2-pyridin-3-ylpyrimidin-4-yl)propanamide (PubChem CID 1488512) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is N-(2-pyridin-3-ylpyrimidin-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-pyridin-3-ylpyrimidin-4-yl)propanamide
PubChem CID1488512
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC NameN-(2-pyridin-3-ylpyrimidin-4-yl)propanamide
SMILESCCC(=O)Nc1ccnc(-c2cccnc2)n1
InChIInChI=1S/C12H12N4O/c1-2-11(17)15-10-5-7-14-12(16-10)9-4-3-6-13-8-9/h3-8H,2H2,1H3,(H,14,15,16,17)
InChIKeyGLNLHTHXORPIAX-UHFFFAOYSA-N
XLogP1.89
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-ylpyrimidin-4-yl)propanamide?
The IUPAC name of N-(2-pyridin-3-ylpyrimidin-4-yl)propanamide (CID 1488512) is N-(2-pyridin-3-ylpyrimidin-4-yl)propanamide.
What is the SMILES notation for N-(2-pyridin-3-ylpyrimidin-4-yl)propanamide?
The canonical SMILES for N-(2-pyridin-3-ylpyrimidin-4-yl)propanamide is CCC(=O)Nc1ccnc(-c2cccnc2)n1.
What is the InChIKey of N-(2-pyridin-3-ylpyrimidin-4-yl)propanamide?
The InChIKey is GLNLHTHXORPIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-2-11(17)15-10-5-7-14-12(16-10)9-4-3-6-13-8-9/h3-8H,2H2,1H3,(H,14,15,16,17).
What are the key properties of N-(2-pyridin-3-ylpyrimidin-4-yl)propanamide?
N-(2-pyridin-3-ylpyrimidin-4-yl)propanamide has a molecular weight of 228.26 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-3-ylpyrimidin-4-yl)propanamide is sourced from PubChem (CID 1488512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).