4-[2-[[ethyl(oxan-3-yl)amino]methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carboxamide

C22H35N3O3 — CID 139383471

IUPAC4-[2-[[ethyl(oxan-3-yl)amino]methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carboxamide
SMILESCCN(CC1CCCC(C)C1(OC)c1ccnc(C(N)=O)c1)C1CCCOC1
InChIInChI=1S/C22H35N3O3/c1-4-25(19-9-6-12-28-15-19)14-18-8-5-7-16(2)22(18,27-3)17-10-11-24-20(13-17)21(23)26/h10-11,13,16,18-19H,4-9,12,14-15H2,1-3H3,(H2,23,26)
InChIKeyGMOFQFJSCVMBRD-UHFFFAOYSA-N
MW389.54 g/mol
LogP2.96
Rot. Bonds7

About 4-[2-[[ethyl(oxan-3-yl)amino]methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carboxamide

4-[2-[[ethyl(oxan-3-yl)amino]methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carboxamide (PubChem CID 139383471) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is 4-[2-[[ethyl(oxan-3-yl)amino]methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-[[ethyl(oxan-3-yl)amino]methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carboxamide
PubChem CID139383471
Molecular FormulaC22H35N3O3
Molecular Weight389.54 g/mol
Exact Mass389.27
IUPAC Name4-[2-[[ethyl(oxan-3-yl)amino]methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carboxamide
SMILESCCN(CC1CCCC(C)C1(OC)c1ccnc(C(N)=O)c1)C1CCCOC1
InChIInChI=1S/C22H35N3O3/c1-4-25(19-9-6-12-28-15-19)14-18-8-5-7-16(2)22(18,27-3)17-10-11-24-20(13-17)21(23)26/h10-11,13,16,18-19H,4-9,12,14-15H2,1-3H3,(H2,23,26)
InChIKeyGMOFQFJSCVMBRD-UHFFFAOYSA-N
XLogP2.96
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-methoxy-2-methyl-6-[[methyl(oxan-3-yl)amino]methyl]cyclohexyl]pyridine-2-carboxamide
CID 139383216
4-[2-[[ethyl(2-oxaspiro[3.5]nonan-7-yl)amino]methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carboxamide
CID 155049615
4-[1-methoxy-2-methyl-6-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]cyclohexyl]pyridine-2-carboxamide
CID 155049582
4-[(1S,5R)-9-methoxy-3-(oxan-3-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
CID 139367983
4-(9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)pyridine-2-carboxamide
CID 139383453
4-[3-(4-fluorooxan-4-yl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
CID 154622942
4-[(1R,5S)-9-methoxy-3-[[(2R)-oxolan-2-yl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride
CID 139367887
bicyclo[3.1.1]hepta-1(6),2,4-triene;4-[(1R,5S)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
CID 175071094
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-[(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-[1-methoxy-2-methyl-6-[[methyl(2-oxaspiro[3.5]nonan-7-yl)amino]methyl]cyclohexyl]pyridine-2-carbaldehyde
CID 139383604

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[ethyl(oxan-3-yl)amino]methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carboxamide?
The IUPAC name of 4-[2-[[ethyl(oxan-3-yl)amino]methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carboxamide (CID 139383471) is 4-[2-[[ethyl(oxan-3-yl)amino]methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[2-[[ethyl(oxan-3-yl)amino]methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[2-[[ethyl(oxan-3-yl)amino]methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carboxamide is CCN(CC1CCCC(C)C1(OC)c1ccnc(C(N)=O)c1)C1CCCOC1.
What is the InChIKey of 4-[2-[[ethyl(oxan-3-yl)amino]methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carboxamide?
The InChIKey is GMOFQFJSCVMBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3/c1-4-25(19-9-6-12-28-15-19)14-18-8-5-7-16(2)22(18,27-3)17-10-11-24-20(13-17)21(23)26/h10-11,13,16,18-19H,4-9,12,14-15H2,1-3H3,(H2,23,26).
What are the key properties of 4-[2-[[ethyl(oxan-3-yl)amino]methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carboxamide?
4-[2-[[ethyl(oxan-3-yl)amino]methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carboxamide has a molecular weight of 389.54 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[ethyl(oxan-3-yl)amino]methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carboxamide is sourced from PubChem (CID 139383471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).