4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide

C18H23N3O2 — CID 59730124

IUPAC4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide
SMILESCC(C)CCNCc1ccc(Oc2ccc(C(N)=O)cc2)nc1
InChIInChI=1S/C18H23N3O2/c1-13(2)9-10-20-11-14-3-8-17(21-12-14)23-16-6-4-15(5-7-16)18(19)22/h3-8,12-13,20H,9-11H2,1-2H3,(H2,19,22)
InChIKeyUOKKSVBSLYXETN-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.11
Rot. Bonds8

About 4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide

4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide (PubChem CID 59730124) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide.

Molecular Properties

Compound Name4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide
PubChem CID59730124
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide
SMILESCC(C)CCNCc1ccc(Oc2ccc(C(N)=O)cc2)nc1
InChIInChI=1S/C18H23N3O2/c1-13(2)9-10-20-11-14-3-8-17(21-12-14)23-16-6-4-15(5-7-16)18(19)22/h3-8,12-13,20H,9-11H2,1-2H3,(H2,19,22)
InChIKeyUOKKSVBSLYXETN-UHFFFAOYSA-N
XLogP3.11
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethanol;methane;bis(6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboxamide);hydrochloride
CID 161325943
3-methoxy-4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 142891069
4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 80637430
N-ethyl-6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboxamide
CID 59729960
N'-ethenyl-6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboximidamide
CID 143075875
4-[2-chloro-4-[(3-methylbutylamino)methyl]phenoxy]benzamide
CID 59730026
6-[4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]pyridine-3-carboxamide
CID 68745018
4-[[5-[[(4-fluorophenyl)methylamino]methyl]-2-pyridinyl]oxy]benzamide;4-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]oxy]benzamide;4-[[5-[(2-thiophen-2-ylethylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 87559634
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine
CID 28712170
3-bromo-4-[4-[(3-methylbutylamino)methyl]phenoxy]benzamide
CID 59730206
4-[4-[(6-propan-2-yloxy-3-pyridinyl)methylcarbamoyl]phenoxy]benzamide
CID 56546047
6-[4-(3-amino-2-methylpropyl)phenoxy]pyridine-3-carboxamide
CID 174444884

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide?
The IUPAC name of 4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide (CID 59730124) is 4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide.
What is the SMILES notation for 4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide?
The canonical SMILES for 4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide is CC(C)CCNCc1ccc(Oc2ccc(C(N)=O)cc2)nc1.
What is the InChIKey of 4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide?
The InChIKey is UOKKSVBSLYXETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13(2)9-10-20-11-14-3-8-17(21-12-14)23-16-6-4-15(5-7-16)18(19)22/h3-8,12-13,20H,9-11H2,1-2H3,(H2,19,22).
What are the key properties of 4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide?
4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide has a molecular weight of 313.40 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide is sourced from PubChem (CID 59730124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).