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

C14H16N4O — CID 1488507

IUPAC3-methyl-N-(2-pyridin-4-ylpyrimidin-4-yl)butanamide
SMILESCC(C)CC(=O)Nc1ccnc(-c2ccncc2)n1
InChIInChI=1S/C14H16N4O/c1-10(2)9-13(19)17-12-5-8-16-14(18-12)11-3-6-15-7-4-11/h3-8,10H,9H2,1-2H3,(H,16,17,18,19)
InChIKeyPDZGJVNOKZIRIS-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.52
Rot. Bonds4

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

3-methyl-N-(2-pyridin-4-ylpyrimidin-4-yl)butanamide (PubChem CID 1488507) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-methyl-N-(2-pyridin-4-ylpyrimidin-4-yl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(2-pyridin-4-ylpyrimidin-4-yl)butanamide
PubChem CID1488507
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name3-methyl-N-(2-pyridin-4-ylpyrimidin-4-yl)butanamide
SMILESCC(C)CC(=O)Nc1ccnc(-c2ccncc2)n1
InChIInChI=1S/C14H16N4O/c1-10(2)9-13(19)17-12-5-8-16-14(18-12)11-3-6-15-7-4-11/h3-8,10H,9H2,1-2H3,(H,16,17,18,19)
InChIKeyPDZGJVNOKZIRIS-UHFFFAOYSA-N
XLogP2.52
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-pyridin-4-ylpyrimidin-4-yl)butanamide?
The IUPAC name of 3-methyl-N-(2-pyridin-4-ylpyrimidin-4-yl)butanamide (CID 1488507) is 3-methyl-N-(2-pyridin-4-ylpyrimidin-4-yl)butanamide.
What is the SMILES notation for 3-methyl-N-(2-pyridin-4-ylpyrimidin-4-yl)butanamide?
The canonical SMILES for 3-methyl-N-(2-pyridin-4-ylpyrimidin-4-yl)butanamide is CC(C)CC(=O)Nc1ccnc(-c2ccncc2)n1.
What is the InChIKey of 3-methyl-N-(2-pyridin-4-ylpyrimidin-4-yl)butanamide?
The InChIKey is PDZGJVNOKZIRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-10(2)9-13(19)17-12-5-8-16-14(18-12)11-3-6-15-7-4-11/h3-8,10H,9H2,1-2H3,(H,16,17,18,19).
What are the key properties of 3-methyl-N-(2-pyridin-4-ylpyrimidin-4-yl)butanamide?
3-methyl-N-(2-pyridin-4-ylpyrimidin-4-yl)butanamide has a molecular weight of 256.31 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-pyridin-4-ylpyrimidin-4-yl)butanamide is sourced from PubChem (CID 1488507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).