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

C26H41N3O4 — CID 69493574

IUPAC1-(cyclohexylmethyl)-N-[1-(3-hydroxypropylamino)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)NCCCO
InChIInChI=1S/C26H41N3O4/c1-26(2,25(33)27-15-10-16-30)28-23(31)21-17-20-13-8-3-4-9-14-22(20)29(24(21)32)18-19-11-6-5-7-12-19/h17,19,30H,3-16,18H2,1-2H3,(H,27,33)(H,28,31)
InChIKeyKOIMCUUFJKMCIR-UHFFFAOYSA-N
MW459.63 g/mol
LogP3.09
Rot. Bonds8

About 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

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 (PubChem CID 69493574) has the molecular formula C26H41N3O4 and a molecular weight of 459.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-[1-(3-hydroxypropylamino)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
PubChem CID69493574
Molecular FormulaC26H41N3O4
Molecular Weight459.63 g/mol
Exact Mass459.31
IUPAC Name1-(cyclohexylmethyl)-N-[1-(3-hydroxypropylamino)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)NCCCO
InChIInChI=1S/C26H41N3O4/c1-26(2,25(33)27-15-10-16-30)28-23(31)21-17-20-13-8-3-4-9-14-22(20)29(24(21)32)18-19-11-6-5-7-12-19/h17,19,30H,3-16,18H2,1-2H3,(H,27,33)(H,28,31)
InChIKeyKOIMCUUFJKMCIR-UHFFFAOYSA-N
XLogP3.09
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.63
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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-[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-(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
N-[1-(4-carbamoylpiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]-1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 70693864
1-(cyclohexylmethyl)-N-[1-[2-(dimethylamino)ethylamino]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 70691799
1-[2-[[1-(Cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]-2-methylpropanoyl]piperidine-4-carboxylic acid
CID 70695982
2-[[2-[[1-(Cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]-2-methylpropanoyl]amino]acetic acid
CID 67520284
1-(cyclohexylmethyl)-N-[1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 59718732

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)NCCCO.
What is the InChIKey of 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?
The InChIKey is KOIMCUUFJKMCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N3O4/c1-26(2,25(33)27-15-10-16-30)28-23(31)21-17-20-13-8-3-4-9-14-22(20)29(24(21)32)18-19-11-6-5-7-12-19/h17,19,30H,3-16,18H2,1-2H3,(H,27,33)(H,28,31).
What are the key properties of 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?
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 has a molecular weight of 459.63 g/mol, XLogP of 3.09, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 69493574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).