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

C21H26N2O2 — CID 142275684

IUPAC1-methyl-2-oxo-N-(2-phenylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCn1c2c(cc(C(=O)NCCc3ccccc3)c1=O)CCCCCC2
InChIInChI=1S/C21H26N2O2/c1-23-19-12-8-3-2-7-11-17(19)15-18(21(23)25)20(24)22-14-13-16-9-5-4-6-10-16/h4-6,9-10,15H,2-3,7-8,11-14H2,1H3,(H,22,24)
InChIKeyNXSQJDNPCLRJGM-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.02
Rot. Bonds4

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

1-methyl-2-oxo-N-(2-phenylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (PubChem CID 142275684) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-(2-phenylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-(2-phenylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
PubChem CID142275684
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-methyl-2-oxo-N-(2-phenylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCn1c2c(cc(C(=O)NCCc3ccccc3)c1=O)CCCCCC2
InChIInChI=1S/C21H26N2O2/c1-23-19-12-8-3-2-7-11-17(19)15-18(21(23)25)20(24)22-14-13-16-9-5-4-6-10-16/h4-6,9-10,15H,2-3,7-8,11-14H2,1H3,(H,22,24)
InChIKeyNXSQJDNPCLRJGM-UHFFFAOYSA-N
XLogP3.02
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-butyl-2-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 23587792
1-(butylamino)-2-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 142275755
1-methyl-2-oxo-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 74245133
1-butyl-2-oxo-N-(2-pyridin-4-ylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 23587711
3-oxo-N-(2-phenylethyl)-8-thia-2,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),4,6-triene-4-carboxamide
CID 53029324
1-butyl-5-ethyl-2-oxo-N-(2-phenylethyl)-6-propylpyridine-3-carboxamide
CID 23587815
ethyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate
CID 97036567
1-methyl-6-oxo-N-(2-phenylethyl)-4,5-dihydropyridazine-3-carboxamide
CID 24540154
2-(1-methyl-2-oxo-3H-indol-5-yl)-N-(2-phenylethyl)acetamide
CID 110768281
2,6,7-trimethyl-1-oxo-4-phenyl-N-(2-phenylethyl)isoquinoline-3-carboxamide
CID 21463261
1-butyl-2-oxo-N-(pyridin-3-ylmethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 23587717
1-butyl-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 67523007

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-(2-phenylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-(2-phenylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (CID 142275684) is 1-methyl-2-oxo-N-(2-phenylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-(2-phenylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-(2-phenylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is Cn1c2c(cc(C(=O)NCCc3ccccc3)c1=O)CCCCCC2.
What is the InChIKey of 1-methyl-2-oxo-N-(2-phenylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The InChIKey is NXSQJDNPCLRJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-23-19-12-8-3-2-7-11-17(19)15-18(21(23)25)20(24)22-14-13-16-9-5-4-6-10-16/h4-6,9-10,15H,2-3,7-8,11-14H2,1H3,(H,22,24).
What are the key properties of 1-methyl-2-oxo-N-(2-phenylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
1-methyl-2-oxo-N-(2-phenylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-(2-phenylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is sourced from PubChem (CID 142275684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).