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

C19H25N3O3 — CID 142891069

IUPAC3-methoxy-4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide
SMILESCOc1cc(C(N)=O)ccc1Oc1ccc(CNCCC(C)C)cn1
InChIInChI=1S/C19H25N3O3/c1-13(2)8-9-21-11-14-4-7-18(22-12-14)25-16-6-5-15(19(20)23)10-17(16)24-3/h4-7,10,12-13,21H,8-9,11H2,1-3H3,(H2,20,23)
InChIKeyGJTSUJNFLZZJQL-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.12
Rot. Bonds9

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

3-methoxy-4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide (PubChem CID 142891069) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-methoxy-4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide.

Molecular Properties

Compound Name3-methoxy-4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide
PubChem CID142891069
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name3-methoxy-4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide
SMILESCOc1cc(C(N)=O)ccc1Oc1ccc(CNCCC(C)C)cn1
InChIInChI=1S/C19H25N3O3/c1-13(2)8-9-21-11-14-4-7-18(22-12-14)25-16-6-5-15(19(20)23)10-17(16)24-3/h4-7,10,12-13,21H,8-9,11H2,1-3H3,(H2,20,23)
InChIKeyGJTSUJNFLZZJQL-UHFFFAOYSA-N
XLogP3.12
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 59730124
[[6-[2-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carbonyl]amino]methanesulfonic acid
CID 87559416
methanesulfonic acid;6-[2-methoxy-4-(propylaminomethyl)phenoxy]pyridine-3-carboxamide
CID 87561327
6-[4-[(hexylamino)methyl]-2-methoxyphenoxy]pyridine-3-carboxamide;methanesulfonic acid
CID 87560034
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine
CID 28712170
3-methoxy-4-[5-[(3-methylbutylamino)methyl]thiophen-2-yl]oxybenzamide;hydrochloride
CID 69259612
ethanol;methane;bis(6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboxamide);hydrochloride
CID 161325943
3-bromo-4-[4-[(3-methylbutylamino)methyl]phenoxy]benzamide
CID 59730206
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpentan-1-amine
CID 83156007
4-[2-chloro-4-[(3-methylbutylamino)methyl]phenoxy]benzamide
CID 59730026
6-(4-formyl-2-methoxyphenoxy)pyridine-3-carboxamide
CID 59730016
2-[6-[4-(2-amino-2-oxoethyl)-2-methoxyphenoxy]-3-pyridinyl]acetic acid
CID 139479710

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide?
The IUPAC name of 3-methoxy-4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide (CID 142891069) is 3-methoxy-4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide.
What is the SMILES notation for 3-methoxy-4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide?
The canonical SMILES for 3-methoxy-4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide is COc1cc(C(N)=O)ccc1Oc1ccc(CNCCC(C)C)cn1.
What is the InChIKey of 3-methoxy-4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide?
The InChIKey is GJTSUJNFLZZJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13(2)8-9-21-11-14-4-7-18(22-12-14)25-16-6-5-15(19(20)23)10-17(16)24-3/h4-7,10,12-13,21H,8-9,11H2,1-3H3,(H2,20,23).
What are the key properties of 3-methoxy-4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide?
3-methoxy-4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide has a molecular weight of 343.43 g/mol, XLogP of 3.12, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide is sourced from PubChem (CID 142891069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).