N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]octanamide

C29H30N4O — CID 177491389

IUPACN-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]octanamide
SMILESCCCCCCCC(=O)Nc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C29H30N4O/c1-2-3-4-5-6-13-29(34)32-24-16-14-22(15-17-24)23-20-27(25-11-7-9-18-30-25)33-28(21-23)26-12-8-10-19-31-26/h7-12,14-21H,2-6,13H2,1H3,(H,32,34)
InChIKeyFLVRAVXMSZERPA-UHFFFAOYSA-N
MW450.59 g/mol
LogP7.17
Rot. Bonds10

About N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]octanamide

N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]octanamide (PubChem CID 177491389) has the molecular formula C29H30N4O and a molecular weight of 450.59 g/mol. Its IUPAC name is N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]octanamide.

Molecular Properties

Compound NameN-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]octanamide
PubChem CID177491389
Molecular FormulaC29H30N4O
Molecular Weight450.59 g/mol
Exact Mass450.24
IUPAC NameN-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]octanamide
SMILESCCCCCCCC(=O)Nc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C29H30N4O/c1-2-3-4-5-6-13-29(34)32-24-16-14-22(15-17-24)23-20-27(25-11-7-9-18-30-25)33-28(21-23)26-12-8-10-19-31-26/h7-12,14-21H,2-6,13H2,1H3,(H,32,34)
InChIKeyFLVRAVXMSZERPA-UHFFFAOYSA-N
XLogP7.17
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.59
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2-dimethylpropanamide
CID 101177387
4-(4-dodecoxyphenyl)-2,6-dipyridin-2-ylpyridine
CID 15434011
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
[2-[4-(hexanoylamino)phenyl]-2-oxoethyl] pyridine-2-carboxylate
CID 7477362
N-[4-(4-hydroxyphenyl)phenyl]octanamide
CID 139889893
3-[[4-(octanoylamino)benzoyl]amino]-N-pyridin-2-ylbenzamide
CID 4913337
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
2,6-dipyridin-2-yl-4-[4-[2,4,5-tris[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-dihexoxyphenyl]phenyl]pyridine
CID 102454997
N-[4-[3,5-bis[4-(12-hydroxyoctadecanoylamino)phenyl]phenyl]phenyl]-12-hydroxyoctadecanamide
CID 132572427
4-[4-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,5-dihexadecoxyphenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 177491486
N-[4-(heptanoylamino)phenyl]benzamide
CID 54789055

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]octanamide?
The IUPAC name of N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]octanamide (CID 177491389) is N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]octanamide.
What is the SMILES notation for N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]octanamide?
The canonical SMILES for N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]octanamide is CCCCCCCC(=O)Nc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.
What is the InChIKey of N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]octanamide?
The InChIKey is FLVRAVXMSZERPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O/c1-2-3-4-5-6-13-29(34)32-24-16-14-22(15-17-24)23-20-27(25-11-7-9-18-30-25)33-28(21-23)26-12-8-10-19-31-26/h7-12,14-21H,2-6,13H2,1H3,(H,32,34).
What are the key properties of N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]octanamide?
N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]octanamide has a molecular weight of 450.59 g/mol, XLogP of 7.17, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]octanamide is sourced from PubChem (CID 177491389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).