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

C25H39N3O4 — CID 59718732

IUPAC1-(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
SMILESCON(C)C(=O)C(C)(C)NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2
InChIInChI=1S/C25H39N3O4/c1-25(2,24(31)27(3)32-4)26-22(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,5-15,17H2,1-4H3,(H,26,29)
InChIKeyFFXSRPDKHVVIGL-UHFFFAOYSA-N
MW445.60 g/mol
LogP3.62
Rot. Bonds6

About 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

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 (PubChem CID 59718732) has the molecular formula C25H39N3O4 and a molecular weight of 445.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID59718732
Molecular FormulaC25H39N3O4
Molecular Weight445.60 g/mol
Exact Mass445.29
IUPAC Name1-(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
SMILESCON(C)C(=O)C(C)(C)NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2
InChIInChI=1S/C25H39N3O4/c1-25(2,24(31)27(3)32-4)26-22(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,5-15,17H2,1-4H3,(H,26,29)
InChIKeyFFXSRPDKHVVIGL-UHFFFAOYSA-N
XLogP3.62
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.60
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CON(C)C(=O)C(C)(C)NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2.
What is the InChIKey of 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?
The InChIKey is FFXSRPDKHVVIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O4/c1-25(2,24(31)27(3)32-4)26-22(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,5-15,17H2,1-4H3,(H,26,29).
What are the key properties of 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?
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 has a molecular weight of 445.60 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59718732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).