1-(cyclohexylmethyl)-N-[1-(ethylamino)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

C25H39N3O3 — CID 59718887

IUPAC1-(cyclohexylmethyl)-N-[1-(ethylamino)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCCNC(=O)C(C)(C)NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2
InChIInChI=1S/C25H39N3O3/c1-4-26-24(31)25(2,3)27-22(29)20-16-19-14-10-5-6-11-15-21(19)28(23(20)30)17-18-12-8-7-9-13-18/h16,18H,4-15,17H2,1-3H3,(H,26,31)(H,27,29)
InChIKeyFOQCJDNZSNUHIE-UHFFFAOYSA-N
MW429.61 g/mol
LogP3.73
Rot. Bonds6

About 1-(cyclohexylmethyl)-N-[1-(ethylamino)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

1-(cyclohexylmethyl)-N-[1-(ethylamino)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (PubChem CID 59718887) has the molecular formula C25H39N3O3 and a molecular weight of 429.61 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-[1-(ethylamino)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-[1-(ethylamino)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
PubChem CID59718887
Molecular FormulaC25H39N3O3
Molecular Weight429.61 g/mol
Exact Mass429.30
IUPAC Name1-(cyclohexylmethyl)-N-[1-(ethylamino)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCCNC(=O)C(C)(C)NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2
InChIInChI=1S/C25H39N3O3/c1-4-26-24(31)25(2,3)27-22(29)20-16-19-14-10-5-6-11-15-21(19)28(23(20)30)17-18-12-8-7-9-13-18/h16,18H,4-15,17H2,1-3H3,(H,26,31)(H,27,29)
InChIKeyFOQCJDNZSNUHIE-UHFFFAOYSA-N
XLogP3.73
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.61
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(cyclohexylmethyl)-N-[1-(ethylamino)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide with MolForge

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Related Compounds

Methyl 2-[[1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]-2-methylpropanoate
CID 11697361
1-butyl-N-cyclohexyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 23587763
1-(cyclohexylmethyl)-N-[1-[2-hydroxyethyl(methyl)amino]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 59718873
1-(cyclohexylmethyl)-N-[1-(3-hydroxypropylamino)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 69493574
1-(cyclohexylmethyl)-N-[1-[2-(2-hydroxyethoxy)ethylamino]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 70689659
2-[[1-(Cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]-2-methylpropanoic acid
CID 59718742
1-(cyclohexylmethyl)-N-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 59718848
CB 1/2 dual agonists, Shionogi
CID 70681279
1-(cyclohexylmethyl)-N-[1-(4-hydroxypiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 70689660
1-(cyclohexylmethyl)-N-[1-(5-hydroxypentylamino)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 70691798
N-[1-(2-acetamidoethylamino)-2-methyl-1-oxopropan-2-yl]-1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 70693862
N-[1-[(2-amino-2-oxoethyl)amino]-2-methyl-1-oxopropan-2-yl]-1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 70693863

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-[1-(ethylamino)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-[1-(ethylamino)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (CID 59718887) is 1-(cyclohexylmethyl)-N-[1-(ethylamino)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-[1-(ethylamino)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-[1-(ethylamino)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is CCNC(=O)C(C)(C)NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2.
What is the InChIKey of 1-(cyclohexylmethyl)-N-[1-(ethylamino)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The InChIKey is FOQCJDNZSNUHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O3/c1-4-26-24(31)25(2,3)27-22(29)20-16-19-14-10-5-6-11-15-21(19)28(23(20)30)17-18-12-8-7-9-13-18/h16,18H,4-15,17H2,1-3H3,(H,26,31)(H,27,29).
What are the key properties of 1-(cyclohexylmethyl)-N-[1-(ethylamino)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
1-(cyclohexylmethyl)-N-[1-(ethylamino)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide has a molecular weight of 429.61 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-[1-(ethylamino)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is sourced from PubChem (CID 59718887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).