6-[4-[3-[(4-methoxyphenyl)methylamino]butyl]phenoxy]pyridine-3-carboxamide

C24H27N3O3 — CID 68746356

IUPAC6-[4-[3-[(4-methoxyphenyl)methylamino]butyl]phenoxy]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(C)CCc2ccc(Oc3ccc(C(N)=O)cn3)cc2)cc1
InChIInChI=1S/C24H27N3O3/c1-17(26-15-19-7-10-21(29-2)11-8-19)3-4-18-5-12-22(13-6-18)30-23-14-9-20(16-27-23)24(25)28/h5-14,16-17,26H,3-4,15H2,1-2H3,(H2,25,28)
InChIKeyQUUUPBSYBDGKQY-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.09
Rot. Bonds10

About 6-[4-[3-[(4-methoxyphenyl)methylamino]butyl]phenoxy]pyridine-3-carboxamide

6-[4-[3-[(4-methoxyphenyl)methylamino]butyl]phenoxy]pyridine-3-carboxamide (PubChem CID 68746356) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 6-[4-[3-[(4-methoxyphenyl)methylamino]butyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[3-[(4-methoxyphenyl)methylamino]butyl]phenoxy]pyridine-3-carboxamide
PubChem CID68746356
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name6-[4-[3-[(4-methoxyphenyl)methylamino]butyl]phenoxy]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(C)CCc2ccc(Oc3ccc(C(N)=O)cn3)cc2)cc1
InChIInChI=1S/C24H27N3O3/c1-17(26-15-19-7-10-21(29-2)11-8-19)3-4-18-5-12-22(13-6-18)30-23-14-9-20(16-27-23)24(25)28/h5-14,16-17,26H,3-4,15H2,1-2H3,(H2,25,28)
InChIKeyQUUUPBSYBDGKQY-UHFFFAOYSA-N
XLogP4.09
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]pyridine-3-carboxamide
CID 68745018
6-[4-[3-[[3-(trifluoromethoxy)phenyl]methylamino]butyl]phenoxy]pyridine-3-carboxamide
CID 68747811
4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 80637430
ethanol;methane;bis(6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboxamide);hydrochloride
CID 161325943
6-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91553748
6-[4-[(2R)-2-aminopropyl]phenoxy]pyridine-3-carboxamide;hydrochloride
CID 22087128
6-(4-pentylphenoxy)pyridine-3-carboxamide
CID 142415252
4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 59730124
4-[[4-(4-hydroxyphenyl)butan-2-ylamino]methyl]benzamide
CID 119122196
6-[4-(3-amino-2-methylpropyl)phenoxy]pyridine-3-carboxamide
CID 174444884
6-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68752063
6-[4-(2-oxopropyl)phenoxy]pyridine-3-carboxamide
CID 22087205

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-[(4-methoxyphenyl)methylamino]butyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[3-[(4-methoxyphenyl)methylamino]butyl]phenoxy]pyridine-3-carboxamide (CID 68746356) is 6-[4-[3-[(4-methoxyphenyl)methylamino]butyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[3-[(4-methoxyphenyl)methylamino]butyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[3-[(4-methoxyphenyl)methylamino]butyl]phenoxy]pyridine-3-carboxamide is COc1ccc(CNC(C)CCc2ccc(Oc3ccc(C(N)=O)cn3)cc2)cc1.
What is the InChIKey of 6-[4-[3-[(4-methoxyphenyl)methylamino]butyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is QUUUPBSYBDGKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-17(26-15-19-7-10-21(29-2)11-8-19)3-4-18-5-12-22(13-6-18)30-23-14-9-20(16-27-23)24(25)28/h5-14,16-17,26H,3-4,15H2,1-2H3,(H2,25,28).
What are the key properties of 6-[4-[3-[(4-methoxyphenyl)methylamino]butyl]phenoxy]pyridine-3-carboxamide?
6-[4-[3-[(4-methoxyphenyl)methylamino]butyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 4.09, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-[(4-methoxyphenyl)methylamino]butyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 68746356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).