N-ethyl-6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboxamide

C20H27N3O2 — CID 59729960

IUPACN-ethyl-6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(Oc2ccc(CNCCC(C)C)cc2)nc1
InChIInChI=1S/C20H27N3O2/c1-4-22-20(24)17-7-10-19(23-14-17)25-18-8-5-16(6-9-18)13-21-12-11-15(2)3/h5-10,14-15,21H,4,11-13H2,1-3H3,(H,22,24)
InChIKeyRXAYSBSFMNMVBO-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.76
Rot. Bonds9

About N-ethyl-6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboxamide

N-ethyl-6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboxamide (PubChem CID 59729960) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-ethyl-6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboxamide
PubChem CID59729960
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-ethyl-6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(Oc2ccc(CNCCC(C)C)cc2)nc1
InChIInChI=1S/C20H27N3O2/c1-4-22-20(24)17-7-10-19(23-14-17)25-18-8-5-16(6-9-18)13-21-12-11-15(2)3/h5-10,14-15,21H,4,11-13H2,1-3H3,(H,22,24)
InChIKeyRXAYSBSFMNMVBO-UHFFFAOYSA-N
XLogP3.76
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.76
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
4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 59730124
N'-ethenyl-6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboximidamide
CID 143075875
[[6-[2-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carbonyl]amino]methanesulfonic acid
CID 87559416
N-[[4-(butylcarbamoyl)phenyl]methyl]-6-phenoxypyridine-3-carboxamide
CID 78901073
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-6-phenoxypyridine-3-carboxamide
CID 78888482
N-ethyl-6-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53120103
6-[4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]pyridine-3-carboxamide
CID 68745018
6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide
CID 53120091
3-methoxy-4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 142891069
N-(2-hydroxypropyl)-6-phenoxypyridine-3-carboxamide
CID 78888027
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine
CID 28712170

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-ethyl-6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboxamide (CID 59729960) is N-ethyl-6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboxamide is CCNC(=O)c1ccc(Oc2ccc(CNCCC(C)C)cc2)nc1.
What is the InChIKey of N-ethyl-6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is RXAYSBSFMNMVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-4-22-20(24)17-7-10-19(23-14-17)25-18-8-5-16(6-9-18)13-21-12-11-15(2)3/h5-10,14-15,21H,4,11-13H2,1-3H3,(H,22,24).
What are the key properties of N-ethyl-6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboxamide?
N-ethyl-6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.76, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 59729960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).