1-cyclohexyl-5-N-methyl-4-oxo-3-N-[[(1S,2R,4R)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]pyridine-3,5-dicarboxamide

C24H31N3O3 — CID 98277035

IUPAC1-cyclohexyl-5-N-methyl-4-oxo-3-N-[[(1S,2R,4R)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]pyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cn(C2CCCCC2)cc(C(=O)NC[C@@H]2C[C@@H]3C=C[C@@H]2C32CC2)c1=O
InChIInChI=1S/C24H31N3O3/c1-25-22(29)18-13-27(17-5-3-2-4-6-17)14-19(21(18)28)23(30)26-12-15-11-16-7-8-20(15)24(16)9-10-24/h7-8,13-17,20H,2-6,9-12H2,1H3,(H,25,29)(H,26,30)/t15-,16-,20-/m0/s1
InChIKeyJAFNBWXXROJHLX-FTRWYGJKSA-N
MW409.53 g/mol
LogP3.05
Rot. Bonds5

About 1-cyclohexyl-5-N-methyl-4-oxo-3-N-[[(1S,2R,4R)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]pyridine-3,5-dicarboxamide

1-cyclohexyl-5-N-methyl-4-oxo-3-N-[[(1S,2R,4R)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]pyridine-3,5-dicarboxamide (PubChem CID 98277035) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-cyclohexyl-5-N-methyl-4-oxo-3-N-[[(1S,2R,4R)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-cyclohexyl-5-N-methyl-4-oxo-3-N-[[(1S,2R,4R)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]pyridine-3,5-dicarboxamide
PubChem CID98277035
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name1-cyclohexyl-5-N-methyl-4-oxo-3-N-[[(1S,2R,4R)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]pyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cn(C2CCCCC2)cc(C(=O)NC[C@@H]2C[C@@H]3C=C[C@@H]2C32CC2)c1=O
InChIInChI=1S/C24H31N3O3/c1-25-22(29)18-13-27(17-5-3-2-4-6-17)14-19(21(18)28)23(30)26-12-15-11-16-7-8-20(15)24(16)9-10-24/h7-8,13-17,20H,2-6,9-12H2,1H3,(H,25,29)(H,26,30)/t15-,16-,20-/m0/s1
InChIKeyJAFNBWXXROJHLX-FTRWYGJKSA-N
XLogP3.05
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-5-N-methyl-4-oxo-3-N-(spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 45191694
1-cyclohexyl-3-N-[2-(4-fluorophenyl)ethyl]-5-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 42212323
N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-cyclohexyl-4-oxo-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 26348462
1-cyclohexyl-3-N-(1-methoxypropan-2-yl)-5-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 45231742
1-cyclohexyl-3-N-(1,2-diphenylethyl)-5-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 45195813
3-N-tert-butyl-1-cyclohexyl-5-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxopyridine-3,5-dicarboxamide
CID 26349853
1-cyclohexyl-5-N-methyl-4-oxo-3-N-[(1S)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide
CID 25292980
5-N-benzyl-3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxopyridine-3,5-dicarboxamide
CID 26363741
1-cyclohexyl-5-N-(3-methoxypropyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 42483113
1-cyclohexyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-N-methyl-4-oxopyridine-3-carboxamide
CID 26356143
1-cyclopentyl-3-N-methyl-5-N-(3-methylbutyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 26282384
5-N-(cyclohexylmethyl)-1-cyclopropyl-3-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxopyridine-3,5-dicarboxamide
CID 45205721

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-N-methyl-4-oxo-3-N-[[(1S,2R,4R)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 1-cyclohexyl-5-N-methyl-4-oxo-3-N-[[(1S,2R,4R)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]pyridine-3,5-dicarboxamide (CID 98277035) is 1-cyclohexyl-5-N-methyl-4-oxo-3-N-[[(1S,2R,4R)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-cyclohexyl-5-N-methyl-4-oxo-3-N-[[(1S,2R,4R)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 1-cyclohexyl-5-N-methyl-4-oxo-3-N-[[(1S,2R,4R)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]pyridine-3,5-dicarboxamide is CNC(=O)c1cn(C2CCCCC2)cc(C(=O)NC[C@@H]2C[C@@H]3C=C[C@@H]2C32CC2)c1=O.
What is the InChIKey of 1-cyclohexyl-5-N-methyl-4-oxo-3-N-[[(1S,2R,4R)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]pyridine-3,5-dicarboxamide?
The InChIKey is JAFNBWXXROJHLX-FTRWYGJKSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-25-22(29)18-13-27(17-5-3-2-4-6-17)14-19(21(18)28)23(30)26-12-15-11-16-7-8-20(15)24(16)9-10-24/h7-8,13-17,20H,2-6,9-12H2,1H3,(H,25,29)(H,26,30)/t15-,16-,20-/m0/s1.
What are the key properties of 1-cyclohexyl-5-N-methyl-4-oxo-3-N-[[(1S,2R,4R)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]pyridine-3,5-dicarboxamide?
1-cyclohexyl-5-N-methyl-4-oxo-3-N-[[(1S,2R,4R)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]pyridine-3,5-dicarboxamide has a molecular weight of 409.53 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-N-methyl-4-oxo-3-N-[[(1S,2R,4R)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 98277035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).