N-pyrimidin-2-yloctanamide

C12H19N3O — CID 4077414

IUPACN-pyrimidin-2-yloctanamide
SMILESCCCCCCCC(=O)Nc1ncccn1
InChIInChI=1S/C12H19N3O/c1-2-3-4-5-6-8-11(16)15-12-13-9-7-10-14-12/h7,9-10H,2-6,8H2,1H3,(H,13,14,15,16)
InChIKeyILDSZNOQAKLPJA-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.78
Rot. Bonds7

About N-pyrimidin-2-yloctanamide

N-pyrimidin-2-yloctanamide (PubChem CID 4077414) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-pyrimidin-2-yloctanamide.

Molecular Properties

Compound NameN-pyrimidin-2-yloctanamide
PubChem CID4077414
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-pyrimidin-2-yloctanamide
SMILESCCCCCCCC(=O)Nc1ncccn1
InChIInChI=1S/C12H19N3O/c1-2-3-4-5-6-8-11(16)15-12-13-9-7-10-14-12/h7,9-10H,2-6,8H2,1H3,(H,13,14,15,16)
InChIKeyILDSZNOQAKLPJA-UHFFFAOYSA-N
XLogP2.78
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-2-yloctanamide?
The IUPAC name of N-pyrimidin-2-yloctanamide (CID 4077414) is N-pyrimidin-2-yloctanamide.
What is the SMILES notation for N-pyrimidin-2-yloctanamide?
The canonical SMILES for N-pyrimidin-2-yloctanamide is CCCCCCCC(=O)Nc1ncccn1.
What is the InChIKey of N-pyrimidin-2-yloctanamide?
The InChIKey is ILDSZNOQAKLPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-3-4-5-6-8-11(16)15-12-13-9-7-10-14-12/h7,9-10H,2-6,8H2,1H3,(H,13,14,15,16).
What are the key properties of N-pyrimidin-2-yloctanamide?
N-pyrimidin-2-yloctanamide has a molecular weight of 221.30 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-yloctanamide is sourced from PubChem (CID 4077414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).