2-pyridin-2-ylheptanediamide

C12H17N3O2 — CID 66894165

IUPAC2-pyridin-2-ylheptanediamide
SMILESNC(=O)CCCCC(C(N)=O)c1ccccn1
InChIInChI=1S/C12H17N3O2/c13-11(16)7-2-1-5-9(12(14)17)10-6-3-4-8-15-10/h3-4,6,8-9H,1-2,5,7H2,(H2,13,16)(H2,14,17)
InChIKeyFZNWOSXBODGQJU-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.70
Rot. Bonds7

About 2-pyridin-2-ylheptanediamide

2-pyridin-2-ylheptanediamide (PubChem CID 66894165) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-pyridin-2-ylheptanediamide.

Molecular Properties

Compound Name2-pyridin-2-ylheptanediamide
PubChem CID66894165
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-pyridin-2-ylheptanediamide
SMILESNC(=O)CCCCC(C(N)=O)c1ccccn1
InChIInChI=1S/C12H17N3O2/c13-11(16)7-2-1-5-9(12(14)17)10-6-3-4-8-15-10/h3-4,6,8-9H,1-2,5,7H2,(H2,13,16)(H2,14,17)
InChIKeyFZNWOSXBODGQJU-UHFFFAOYSA-N
XLogP0.70
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.70
H-Bond Donors ≤ 52
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 2-pyridin-2-ylheptanediamide?
The IUPAC name of 2-pyridin-2-ylheptanediamide (CID 66894165) is 2-pyridin-2-ylheptanediamide.
What is the SMILES notation for 2-pyridin-2-ylheptanediamide?
The canonical SMILES for 2-pyridin-2-ylheptanediamide is NC(=O)CCCCC(C(N)=O)c1ccccn1.
What is the InChIKey of 2-pyridin-2-ylheptanediamide?
The InChIKey is FZNWOSXBODGQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-11(16)7-2-1-5-9(12(14)17)10-6-3-4-8-15-10/h3-4,6,8-9H,1-2,5,7H2,(H2,13,16)(H2,14,17).
What are the key properties of 2-pyridin-2-ylheptanediamide?
2-pyridin-2-ylheptanediamide has a molecular weight of 235.29 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylheptanediamide is sourced from PubChem (CID 66894165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).