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

C21H21N3O3 — CID 68745018

IUPAC6-[4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]pyridine-3-carboxamide
SMILESCOc1ccc(CNCc2ccc(Oc3ccc(C(N)=O)cn3)cc2)cc1
InChIInChI=1S/C21H21N3O3/c1-26-18-7-2-15(3-8-18)12-23-13-16-4-9-19(10-5-16)27-20-11-6-17(14-24-20)21(22)25/h2-11,14,23H,12-13H2,1H3,(H2,22,25)
InChIKeyUJLQHBGKHRKWHT-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.27
Rot. Bonds8

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

6-[4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]pyridine-3-carboxamide (PubChem CID 68745018) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 6-[4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]pyridine-3-carboxamide
PubChem CID68745018
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name6-[4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]pyridine-3-carboxamide
SMILESCOc1ccc(CNCc2ccc(Oc3ccc(C(N)=O)cn3)cc2)cc1
InChIInChI=1S/C21H21N3O3/c1-26-18-7-2-15(3-8-18)12-23-13-16-4-9-19(10-5-16)27-20-11-6-17(14-24-20)21(22)25/h2-11,14,23H,12-13H2,1H3,(H2,22,25)
InChIKeyUJLQHBGKHRKWHT-UHFFFAOYSA-N
XLogP3.27
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[3-[(4-methoxyphenyl)methylamino]butyl]phenoxy]pyridine-3-carboxamide
CID 68746356
6-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91553748
6-[4-(2-oxopropyl)phenoxy]pyridine-3-carboxamide
CID 22087205
ethanol;methane;bis(6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboxamide);hydrochloride
CID 161325943
6-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68752063
6-[4-[1-(benzylamino)-2-methylpropan-2-yl]phenoxy]pyridine-3-carboxamide
CID 59729915
4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 59730124
6-(4-pentylphenoxy)pyridine-3-carboxamide
CID 142415252
6-[4-[(2R)-2-aminopropyl]phenoxy]pyridine-3-carboxamide;hydrochloride
CID 22087128
6-(4-hydroxyphenoxy)pyridine-3-carboxamide
CID 60868756
6-[4-(3-amino-2-methylpropyl)phenoxy]pyridine-3-carboxamide
CID 174444884
4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 80637430

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]pyridine-3-carboxamide (CID 68745018) is 6-[4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]pyridine-3-carboxamide is COc1ccc(CNCc2ccc(Oc3ccc(C(N)=O)cn3)cc2)cc1.
What is the InChIKey of 6-[4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is UJLQHBGKHRKWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-26-18-7-2-15(3-8-18)12-23-13-16-4-9-19(10-5-16)27-20-11-6-17(14-24-20)21(22)25/h2-11,14,23H,12-13H2,1H3,(H2,22,25).
What are the key properties of 6-[4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]pyridine-3-carboxamide?
6-[4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 68745018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).