4-[2-[[ethyl(2-oxaspiro[3.5]nonan-7-yl)amino]methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carboxamide

C25H39N3O3 — CID 155049615

IUPAC4-[2-[[ethyl(2-oxaspiro[3.5]nonan-7-yl)amino]methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carboxamide
SMILESCCN(CC1CCCC(C)C1(OC)c1ccnc(C(N)=O)c1)C1CCC2(CC1)COC2
InChIInChI=1S/C25H39N3O3/c1-4-28(21-8-11-24(12-9-21)16-31-17-24)15-20-7-5-6-18(2)25(20,30-3)19-10-13-27-22(14-19)23(26)29/h10,13-14,18,20-21H,4-9,11-12,15-17H2,1-3H3,(H2,26,29)
InChIKeyOSIDDCUEMQNCNK-UHFFFAOYSA-N
MW429.61 g/mol
LogP3.74
Rot. Bonds7

About 4-[2-[[ethyl(2-oxaspiro[3.5]nonan-7-yl)amino]methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carboxamide

4-[2-[[ethyl(2-oxaspiro[3.5]nonan-7-yl)amino]methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carboxamide (PubChem CID 155049615) has the molecular formula C25H39N3O3 and a molecular weight of 429.61 g/mol. Its IUPAC name is 4-[2-[[ethyl(2-oxaspiro[3.5]nonan-7-yl)amino]methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-[[ethyl(2-oxaspiro[3.5]nonan-7-yl)amino]methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carboxamide
PubChem CID155049615
Molecular FormulaC25H39N3O3
Molecular Weight429.61 g/mol
Exact Mass429.30
IUPAC Name4-[2-[[ethyl(2-oxaspiro[3.5]nonan-7-yl)amino]methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carboxamide
SMILESCCN(CC1CCCC(C)C1(OC)c1ccnc(C(N)=O)c1)C1CCC2(CC1)COC2
InChIInChI=1S/C25H39N3O3/c1-4-28(21-8-11-24(12-9-21)16-31-17-24)15-20-7-5-6-18(2)25(20,30-3)19-10-13-27-22(14-19)23(26)29/h10,13-14,18,20-21H,4-9,11-12,15-17H2,1-3H3,(H2,26,29)
InChIKeyOSIDDCUEMQNCNK-UHFFFAOYSA-N
XLogP3.74
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.61
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-[[ethyl(2-oxaspiro[3.5]nonan-7-yl)amino]methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carboxamide with MolForge

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Related Compounds

4-[2-[[ethyl(oxan-3-yl)amino]methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carboxamide
CID 139383471
4-[1-methoxy-2-methyl-6-[[methyl(oxan-3-yl)amino]methyl]cyclohexyl]pyridine-2-carboxamide
CID 139383216
4-[1-methoxy-2-methyl-6-[[methyl(2-oxaspiro[3.5]nonan-7-yl)amino]methyl]cyclohexyl]pyridine-2-carbaldehyde
CID 139383604
4-[1-methoxy-2-methyl-6-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]cyclohexyl]pyridine-2-carboxamide
CID 155049582
4-(9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)pyridine-2-carboxamide
CID 139383453
4-[3-(1-acetylazetidin-3-yl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(oxan-3-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-[(3S)-oxan-3-yl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(2-oxaspiro[3.5]nonan-7-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
CID 158591684
4-[3-(4-fluorooxan-4-yl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
CID 154622942
4-[(1S,5R)-9-methoxy-3-(7-oxaspiro[3.5]nonan-2-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
CID 139367967
4-[9-methoxy-3-(7-oxaspiro[3.5]nonan-2-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride
CID 158391380
4-[(1S,5R)-9-methoxy-3-(1-methoxypropan-2-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
CID 139367977
4-[(1S,5R)-9-methoxy-3-[(2R)-1-methoxypropan-2-yl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride
CID 139368219
4-[2-[(dimethylamino)methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carbonitrile
CID 139383197

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[ethyl(2-oxaspiro[3.5]nonan-7-yl)amino]methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carboxamide?
The IUPAC name of 4-[2-[[ethyl(2-oxaspiro[3.5]nonan-7-yl)amino]methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carboxamide (CID 155049615) is 4-[2-[[ethyl(2-oxaspiro[3.5]nonan-7-yl)amino]methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[2-[[ethyl(2-oxaspiro[3.5]nonan-7-yl)amino]methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[2-[[ethyl(2-oxaspiro[3.5]nonan-7-yl)amino]methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carboxamide is CCN(CC1CCCC(C)C1(OC)c1ccnc(C(N)=O)c1)C1CCC2(CC1)COC2.
What is the InChIKey of 4-[2-[[ethyl(2-oxaspiro[3.5]nonan-7-yl)amino]methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carboxamide?
The InChIKey is OSIDDCUEMQNCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O3/c1-4-28(21-8-11-24(12-9-21)16-31-17-24)15-20-7-5-6-18(2)25(20,30-3)19-10-13-27-22(14-19)23(26)29/h10,13-14,18,20-21H,4-9,11-12,15-17H2,1-3H3,(H2,26,29).
What are the key properties of 4-[2-[[ethyl(2-oxaspiro[3.5]nonan-7-yl)amino]methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carboxamide?
4-[2-[[ethyl(2-oxaspiro[3.5]nonan-7-yl)amino]methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carboxamide has a molecular weight of 429.61 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[ethyl(2-oxaspiro[3.5]nonan-7-yl)amino]methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carboxamide is sourced from PubChem (CID 155049615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).