N-cycloheptyl-4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzamide

C22H28N4O3 — CID 53335650

IUPACN-cycloheptyl-4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzamide
SMILESO=C(NC1CCCCCC1)c1ccc(Oc2nccnc2N2CCOCC2)cc1
InChIInChI=1S/C22H28N4O3/c27-21(25-18-5-3-1-2-4-6-18)17-7-9-19(10-8-17)29-22-20(23-11-12-24-22)26-13-15-28-16-14-26/h7-12,18H,1-6,13-16H2,(H,25,27)
InChIKeyAMXSBSCJBAWWAH-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.56
Rot. Bonds5

About N-cycloheptyl-4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzamide

N-cycloheptyl-4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzamide (PubChem CID 53335650) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-cycloheptyl-4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzamide.

Molecular Properties

Compound NameN-cycloheptyl-4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzamide
PubChem CID53335650
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-cycloheptyl-4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzamide
SMILESO=C(NC1CCCCCC1)c1ccc(Oc2nccnc2N2CCOCC2)cc1
InChIInChI=1S/C22H28N4O3/c27-21(25-18-5-3-1-2-4-6-18)17-7-9-19(10-8-17)29-22-20(23-11-12-24-22)26-13-15-28-16-14-26/h7-12,18H,1-6,13-16H2,(H,25,27)
InChIKeyAMXSBSCJBAWWAH-UHFFFAOYSA-N
XLogP3.56
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-4-(3-thiomorpholin-4-ylpyrazin-2-yl)oxybenzamide
CID 53335611
4-(3-morpholin-4-ylpyrazin-2-yl)oxy-N-phenylbenzamide
CID 53335632
4-(3-piperidin-1-ylpyrazin-2-yl)oxy-N-propylbenzamide
CID 53335585
N-(3-chloro-4-fluorophenyl)-4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzamide
CID 53335643
4-(3-pyrrolidin-1-ylpyrazin-2-yl)oxybenzoic acid
CID 45031060
1H-benzimidazol-2-yl-[4-[3-(1,4-oxazepan-4-yl)pyrazin-2-yl]oxyphenyl]methanone
CID 46208214
N-cycloheptyl-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834297
6-chloro-N-cyclohexyl-2-morpholin-4-ylpyridine-3-carboxamide
CID 59830624
N-cyclohexylpyridine-4-carboxamide
CID 3436730
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide
CID 95185906
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide
CID 95185907
N-[(3R)-1-cycloheptylpiperidin-3-yl]-4-morpholin-4-ylbenzamide
CID 42098695

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzamide?
The IUPAC name of N-cycloheptyl-4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzamide (CID 53335650) is N-cycloheptyl-4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzamide.
What is the SMILES notation for N-cycloheptyl-4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzamide?
The canonical SMILES for N-cycloheptyl-4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzamide is O=C(NC1CCCCCC1)c1ccc(Oc2nccnc2N2CCOCC2)cc1.
What is the InChIKey of N-cycloheptyl-4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzamide?
The InChIKey is AMXSBSCJBAWWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c27-21(25-18-5-3-1-2-4-6-18)17-7-9-19(10-8-17)29-22-20(23-11-12-24-22)26-13-15-28-16-14-26/h7-12,18H,1-6,13-16H2,(H,25,27).
What are the key properties of N-cycloheptyl-4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzamide?
N-cycloheptyl-4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzamide has a molecular weight of 396.49 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzamide is sourced from PubChem (CID 53335650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).