1-(cyclohexylmethyl)-N-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

C28H44N4O3 — CID 59718821

IUPAC1-(cyclohexylmethyl)-N-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCN1CCN(C(=O)C(C)(C)NC(=O)c2cc3c(n(CC4CCCCC4)c2=O)CCCCCC3)CC1
InChIInChI=1S/C28H44N4O3/c1-28(2,27(35)31-17-15-30(3)16-18-31)29-25(33)23-19-22-13-9-4-5-10-14-24(22)32(26(23)34)20-21-11-7-6-8-12-21/h19,21H,4-18,20H2,1-3H3,(H,29,33)
InChIKeyYWOGSZWGBLSQSM-UHFFFAOYSA-N
MW484.69 g/mol
LogP3.37
Rot. Bonds5

About 1-(cyclohexylmethyl)-N-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

1-(cyclohexylmethyl)-N-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (PubChem CID 59718821) has the molecular formula C28H44N4O3 and a molecular weight of 484.69 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
PubChem CID59718821
Molecular FormulaC28H44N4O3
Molecular Weight484.69 g/mol
Exact Mass484.34
IUPAC Name1-(cyclohexylmethyl)-N-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCN1CCN(C(=O)C(C)(C)NC(=O)c2cc3c(n(CC4CCCCC4)c2=O)CCCCCC3)CC1
InChIInChI=1S/C28H44N4O3/c1-28(2,27(35)31-17-15-30(3)16-18-31)29-25(33)23-19-22-13-9-4-5-10-14-24(22)32(26(23)34)20-21-11-7-6-8-12-21/h19,21H,4-18,20H2,1-3H3,(H,29,33)
InChIKeyYWOGSZWGBLSQSM-UHFFFAOYSA-N
XLogP3.37
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.69
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(cyclohexylmethyl)-N-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (CID 59718821) is 1-(cyclohexylmethyl)-N-[2-methyl-1-(4-methylpiperazin-1-yl)-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-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is CN1CCN(C(=O)C(C)(C)NC(=O)c2cc3c(n(CC4CCCCC4)c2=O)CCCCCC3)CC1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The InChIKey is YWOGSZWGBLSQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44N4O3/c1-28(2,27(35)31-17-15-30(3)16-18-31)29-25(33)23-19-22-13-9-4-5-10-14-24(22)32(26(23)34)20-21-11-7-6-8-12-21/h19,21H,4-18,20H2,1-3H3,(H,29,33).
What are the key properties of 1-(cyclohexylmethyl)-N-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
1-(cyclohexylmethyl)-N-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide has a molecular weight of 484.69 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is sourced from PubChem (CID 59718821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).