N-[2-(cyclohexen-1-yl)ethyl]-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide

C22H29N3O4 — CID 109082072

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1cc(C(=O)N2CCC3(CC2)OCCO3)ccn1
InChIInChI=1S/C22H29N3O4/c26-20(24-10-6-17-4-2-1-3-5-17)19-16-18(7-11-23-19)21(27)25-12-8-22(9-13-25)28-14-15-29-22/h4,7,11,16H,1-3,5-6,8-10,12-15H2,(H,24,26)
InChIKeyDDIXOSNMUUWMGR-UHFFFAOYSA-N
MW399.49 g/mol
LogP2.68
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide (PubChem CID 109082072) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide
PubChem CID109082072
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1cc(C(=O)N2CCC3(CC2)OCCO3)ccn1
InChIInChI=1S/C22H29N3O4/c26-20(24-10-6-17-4-2-1-3-5-17)19-16-18(7-11-23-19)21(27)25-12-8-22(9-13-25)28-14-15-29-22/h4,7,11,16H,1-3,5-6,8-10,12-15H2,(H,24,26)
InChIKeyDDIXOSNMUUWMGR-UHFFFAOYSA-N
XLogP2.68
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide
CID 109083588
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-pentylpyridine-2-carboxamide
CID 109088568
N-[2-(cyclohexen-1-yl)ethyl]-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide
CID 109113646
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109085941
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109085777
4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[3-(dimethylamino)propyl]pyridine-2,4-dicarboxamide
CID 109081949
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109082049
N-[2-(dimethylamino)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide
CID 109083433
4-N-(3-chlorophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,4-dicarboxamide
CID 109082107
4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109081989
4-N-(1,3-benzodioxol-5-yl)-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,4-dicarboxamide
CID 109082123
N-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080350

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide (CID 109082072) is N-[2-(cyclohexen-1-yl)ethyl]-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide is O=C(NCCC1=CCCCC1)c1cc(C(=O)N2CCC3(CC2)OCCO3)ccn1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide?
The InChIKey is DDIXOSNMUUWMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c26-20(24-10-6-17-4-2-1-3-5-17)19-16-18(7-11-23-19)21(27)25-12-8-22(9-13-25)28-14-15-29-22/h4,7,11,16H,1-3,5-6,8-10,12-15H2,(H,24,26).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109082072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).