6-[4-[cyclohexyl(piperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide

C24H31N3O2 — CID 90911796

IUPAC6-[4-[cyclohexyl(piperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(C(C3CCCCC3)N3CCCCC3)cc2)nc1
InChIInChI=1S/C24H31N3O2/c25-24(28)20-11-14-22(26-17-20)29-21-12-9-19(10-13-21)23(18-7-3-1-4-8-18)27-15-5-2-6-16-27/h9-14,17-18,23H,1-8,15-16H2,(H2,25,28)
InChIKeyDRZFRSWMBYGGMD-UHFFFAOYSA-N
MW393.53 g/mol
LogP5.08
Rot. Bonds6

About 6-[4-[cyclohexyl(piperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide

6-[4-[cyclohexyl(piperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide (PubChem CID 90911796) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 6-[4-[cyclohexyl(piperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[cyclohexyl(piperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide
PubChem CID90911796
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name6-[4-[cyclohexyl(piperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(C(C3CCCCC3)N3CCCCC3)cc2)nc1
InChIInChI=1S/C24H31N3O2/c25-24(28)20-11-14-22(26-17-20)29-21-12-9-19(10-13-21)23(18-7-3-1-4-8-18)27-15-5-2-6-16-27/h9-14,17-18,23H,1-8,15-16H2,(H2,25,28)
InChIKeyDRZFRSWMBYGGMD-UHFFFAOYSA-N
XLogP5.08
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(1-aminopropyl)phenoxy]pyridine-3-carboxamide
CID 174444828
6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]pyridine-3-carboxamide
CID 59730169
6-[4-[2-(4-benzhydrylpiperidin-1-yl)ethyl]phenoxy]pyridine-3-carboxamide
CID 59729978
6-(2,2,2-trifluoro-1-piperidin-1-ylethoxy)pyridine-3-carboxamide
CID 140671080
6-[[1-(cyclopentylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 66673676
6-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91553748
1-[(R)-cyclohexyl-(6-methoxy-3-pyridinyl)methyl]piperazine
CID 171289266
6-[4-[2-[cyclopentyl(propyl)amino]ethyl]phenoxy]pyridine-3-carboxamide
CID 91471625
6-[4-[2-[(4-hydroxycyclohexyl)amino]ethyl]phenoxy]pyridine-3-carboxamide
CID 59730239
(3S)-1-(6-phenoxypyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 94512813

Frequently Asked Questions

What is the IUPAC name of 6-[4-[cyclohexyl(piperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[cyclohexyl(piperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide (CID 90911796) is 6-[4-[cyclohexyl(piperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[cyclohexyl(piperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[cyclohexyl(piperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide is NC(=O)c1ccc(Oc2ccc(C(C3CCCCC3)N3CCCCC3)cc2)nc1.
What is the InChIKey of 6-[4-[cyclohexyl(piperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is DRZFRSWMBYGGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c25-24(28)20-11-14-22(26-17-20)29-21-12-9-19(10-13-21)23(18-7-3-1-4-8-18)27-15-5-2-6-16-27/h9-14,17-18,23H,1-8,15-16H2,(H2,25,28).
What are the key properties of 6-[4-[cyclohexyl(piperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide?
6-[4-[cyclohexyl(piperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[cyclohexyl(piperidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 90911796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).