6-[4-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]ethyl]phenoxy]pyridine-3-carboxamide

C22H27N3O2 — CID 68750318

IUPAC6-[4-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]ethyl]phenoxy]pyridine-3-carboxamide
SMILESCN(CCc1ccc(Oc2ccc(C(N)=O)cn2)cc1)CC1CC=CCC1
InChIInChI=1S/C22H27N3O2/c1-25(16-18-5-3-2-4-6-18)14-13-17-7-10-20(11-8-17)27-21-12-9-19(15-24-21)22(23)26/h2-3,7-12,15,18H,4-6,13-14,16H2,1H3,(H2,23,26)
InChIKeyXPCGFCBBNPYVFA-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.80
Rot. Bonds8

About 6-[4-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]ethyl]phenoxy]pyridine-3-carboxamide

6-[4-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]ethyl]phenoxy]pyridine-3-carboxamide (PubChem CID 68750318) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 6-[4-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]ethyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]ethyl]phenoxy]pyridine-3-carboxamide
PubChem CID68750318
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name6-[4-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]ethyl]phenoxy]pyridine-3-carboxamide
SMILESCN(CCc1ccc(Oc2ccc(C(N)=O)cn2)cc1)CC1CC=CCC1
InChIInChI=1S/C22H27N3O2/c1-25(16-18-5-3-2-4-6-18)14-13-17-7-10-20(11-8-17)27-21-12-9-19(15-24-21)22(23)26/h2-3,7-12,15,18H,4-6,13-14,16H2,1H3,(H2,23,26)
InChIKeyXPCGFCBBNPYVFA-UHFFFAOYSA-N
XLogP3.80
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68745220
6-[4-[2-[cyclopentyl(propyl)amino]ethyl]phenoxy]pyridine-3-carboxamide
CID 91471625
6-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91553748
6-(4-pentylphenoxy)pyridine-3-carboxamide
CID 142415252
6-[4-[2-[(4-hydroxycyclohexyl)amino]ethyl]phenoxy]pyridine-3-carboxamide
CID 59730239
6-[4-(2-oxopropyl)phenoxy]pyridine-3-carboxamide
CID 22087205
6-[4-[2-[(2-hydroxycyclopentyl)amino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68750412
CID 158977644
CID 158977644
6-[4-[(2R)-2-aminopropyl]phenoxy]pyridine-3-carboxamide;hydrochloride
CID 22087128
6-(4-hydroxyphenoxy)pyridine-3-carboxamide
CID 60868756
6-[4-(9-methyl-9-bicyclo[3.3.1]nonanyl)phenoxy]pyridine-3-carboxamide
CID 146325556
6-[4-(3-amino-2-methylpropyl)phenoxy]pyridine-3-carboxamide
CID 174444884

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]ethyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]ethyl]phenoxy]pyridine-3-carboxamide (CID 68750318) is 6-[4-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]ethyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]ethyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]ethyl]phenoxy]pyridine-3-carboxamide is CN(CCc1ccc(Oc2ccc(C(N)=O)cn2)cc1)CC1CC=CCC1.
What is the InChIKey of 6-[4-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]ethyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is XPCGFCBBNPYVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-25(16-18-5-3-2-4-6-18)14-13-17-7-10-20(11-8-17)27-21-12-9-19(15-24-21)22(23)26/h2-3,7-12,15,18H,4-6,13-14,16H2,1H3,(H2,23,26).
What are the key properties of 6-[4-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]ethyl]phenoxy]pyridine-3-carboxamide?
6-[4-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]ethyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]ethyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 68750318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).