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

C13H14N4O — CID 1488506

IUPAC2-methyl-N-(2-pyridin-3-ylpyrimidin-4-yl)propanamide
SMILESCC(C)C(=O)Nc1ccnc(-c2cccnc2)n1
InChIInChI=1S/C13H14N4O/c1-9(2)13(18)17-11-5-7-15-12(16-11)10-4-3-6-14-8-10/h3-9H,1-2H3,(H,15,16,17,18)
InChIKeySTCKPKFVPSGDJE-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.13
Rot. Bonds3

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

2-methyl-N-(2-pyridin-3-ylpyrimidin-4-yl)propanamide (PubChem CID 1488506) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-methyl-N-(2-pyridin-3-ylpyrimidin-4-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(2-pyridin-3-ylpyrimidin-4-yl)propanamide
PubChem CID1488506
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2-methyl-N-(2-pyridin-3-ylpyrimidin-4-yl)propanamide
SMILESCC(C)C(=O)Nc1ccnc(-c2cccnc2)n1
InChIInChI=1S/C13H14N4O/c1-9(2)13(18)17-11-5-7-15-12(16-11)10-4-3-6-14-8-10/h3-9H,1-2H3,(H,15,16,17,18)
InChIKeySTCKPKFVPSGDJE-UHFFFAOYSA-N
XLogP2.13
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-pyridin-3-ylpyrimidin-4-yl)propanamide?
The IUPAC name of 2-methyl-N-(2-pyridin-3-ylpyrimidin-4-yl)propanamide (CID 1488506) is 2-methyl-N-(2-pyridin-3-ylpyrimidin-4-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(2-pyridin-3-ylpyrimidin-4-yl)propanamide?
The canonical SMILES for 2-methyl-N-(2-pyridin-3-ylpyrimidin-4-yl)propanamide is CC(C)C(=O)Nc1ccnc(-c2cccnc2)n1.
What is the InChIKey of 2-methyl-N-(2-pyridin-3-ylpyrimidin-4-yl)propanamide?
The InChIKey is STCKPKFVPSGDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-9(2)13(18)17-11-5-7-15-12(16-11)10-4-3-6-14-8-10/h3-9H,1-2H3,(H,15,16,17,18).
What are the key properties of 2-methyl-N-(2-pyridin-3-ylpyrimidin-4-yl)propanamide?
2-methyl-N-(2-pyridin-3-ylpyrimidin-4-yl)propanamide has a molecular weight of 242.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-pyridin-3-ylpyrimidin-4-yl)propanamide is sourced from PubChem (CID 1488506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).