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

C14H16N4O — CID 3739681

IUPACN-(2-pyridin-3-ylpyrimidin-4-yl)pentanamide
SMILESCCCCC(=O)Nc1ccnc(-c2cccnc2)n1
InChIInChI=1S/C14H16N4O/c1-2-3-6-13(19)17-12-7-9-16-14(18-12)11-5-4-8-15-10-11/h4-5,7-10H,2-3,6H2,1H3,(H,16,17,18,19)
InChIKeyLJNMLHYLQYOXNG-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.67
Rot. Bonds5

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

N-(2-pyridin-3-ylpyrimidin-4-yl)pentanamide (PubChem CID 3739681) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-(2-pyridin-3-ylpyrimidin-4-yl)pentanamide.

Molecular Properties

Compound NameN-(2-pyridin-3-ylpyrimidin-4-yl)pentanamide
PubChem CID3739681
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-(2-pyridin-3-ylpyrimidin-4-yl)pentanamide
SMILESCCCCC(=O)Nc1ccnc(-c2cccnc2)n1
InChIInChI=1S/C14H16N4O/c1-2-3-6-13(19)17-12-7-9-16-14(18-12)11-5-4-8-15-10-11/h4-5,7-10H,2-3,6H2,1H3,(H,16,17,18,19)
InChIKeyLJNMLHYLQYOXNG-UHFFFAOYSA-N
XLogP2.67
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.67
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)pentanamide?
The IUPAC name of N-(2-pyridin-3-ylpyrimidin-4-yl)pentanamide (CID 3739681) is N-(2-pyridin-3-ylpyrimidin-4-yl)pentanamide.
What is the SMILES notation for N-(2-pyridin-3-ylpyrimidin-4-yl)pentanamide?
The canonical SMILES for N-(2-pyridin-3-ylpyrimidin-4-yl)pentanamide is CCCCC(=O)Nc1ccnc(-c2cccnc2)n1.
What is the InChIKey of N-(2-pyridin-3-ylpyrimidin-4-yl)pentanamide?
The InChIKey is LJNMLHYLQYOXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-2-3-6-13(19)17-12-7-9-16-14(18-12)11-5-4-8-15-10-11/h4-5,7-10H,2-3,6H2,1H3,(H,16,17,18,19).
What are the key properties of N-(2-pyridin-3-ylpyrimidin-4-yl)pentanamide?
N-(2-pyridin-3-ylpyrimidin-4-yl)pentanamide has a molecular weight of 256.31 g/mol, XLogP of 2.67, 5 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)pentanamide is sourced from PubChem (CID 3739681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).