1-benzyl-5-N-ethyl-4-oxo-3-N-[(1-phenylcyclohexyl)methyl]pyridine-3,5-dicarboxamide

C29H33N3O3 — CID 26403133

IUPAC1-benzyl-5-N-ethyl-4-oxo-3-N-[(1-phenylcyclohexyl)methyl]pyridine-3,5-dicarboxamide
SMILESCCNC(=O)c1cn(Cc2ccccc2)cc(C(=O)NCC2(c3ccccc3)CCCCC2)c1=O
InChIInChI=1S/C29H33N3O3/c1-2-30-27(34)24-19-32(18-22-12-6-3-7-13-22)20-25(26(24)33)28(35)31-21-29(16-10-5-11-17-29)23-14-8-4-9-15-23/h3-4,6-9,12-15,19-20H,2,5,10-11,16-18,21H2,1H3,(H,30,34)(H,31,35)
InChIKeyOTLALYCSEFYLSK-UHFFFAOYSA-N
MW471.60 g/mol
LogP4.28
Rot. Bonds8

About 1-benzyl-5-N-ethyl-4-oxo-3-N-[(1-phenylcyclohexyl)methyl]pyridine-3,5-dicarboxamide

1-benzyl-5-N-ethyl-4-oxo-3-N-[(1-phenylcyclohexyl)methyl]pyridine-3,5-dicarboxamide (PubChem CID 26403133) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is 1-benzyl-5-N-ethyl-4-oxo-3-N-[(1-phenylcyclohexyl)methyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-benzyl-5-N-ethyl-4-oxo-3-N-[(1-phenylcyclohexyl)methyl]pyridine-3,5-dicarboxamide
PubChem CID26403133
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC Name1-benzyl-5-N-ethyl-4-oxo-3-N-[(1-phenylcyclohexyl)methyl]pyridine-3,5-dicarboxamide
SMILESCCNC(=O)c1cn(Cc2ccccc2)cc(C(=O)NCC2(c3ccccc3)CCCCC2)c1=O
InChIInChI=1S/C29H33N3O3/c1-2-30-27(34)24-19-32(18-22-12-6-3-7-13-22)20-25(26(24)33)28(35)31-21-29(16-10-5-11-17-29)23-14-8-4-9-15-23/h3-4,6-9,12-15,19-20H,2,5,10-11,16-18,21H2,1H3,(H,30,34)(H,31,35)
InChIKeyOTLALYCSEFYLSK-UHFFFAOYSA-N
XLogP4.28
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-5-N-[(1-hydroxycyclohexyl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 26336289
5-N-butyl-1-(2-methoxyethyl)-4-oxo-3-N-[(1-phenylcyclopentyl)methyl]pyridine-3,5-dicarboxamide
CID 42499399
methyl 3-[[1-(2-methoxyethyl)-4-oxo-5-[(1-phenylcyclopentyl)methylcarbamoyl]pyridine-3-carbonyl]amino]propanoate
CID 25305978
3-N-cyclohexyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-5-N-[(1-phenylcyclopentyl)methyl]pyridine-3,5-dicarboxamide
CID 28810026
2-chloro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 847347
1-methyl-2-oxo-N-[(1-phenylcyclopentyl)methyl]quinoline-4-carboxamide
CID 55759441
1-benzyl-3-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-5-N-ethyl-4-oxopyridine-3,5-dicarboxamide
CID 42163060
ethyl (2R)-1-[1-benzyl-5-(ethylcarbamoyl)-4-oxopyridine-3-carbonyl]piperidine-2-carboxylate
CID 26361192
N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]benzamide
CID 20694800
methyl 2-[2-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]sulfanylpropanoate
CID 55871591
N-ethyl-4-[[[N'-methyl-N-[(1-phenylcyclopentyl)methyl]carbamimidoyl]amino]methyl]benzamide
CID 111852452
3-methoxy-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 110480493

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-N-ethyl-4-oxo-3-N-[(1-phenylcyclohexyl)methyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 1-benzyl-5-N-ethyl-4-oxo-3-N-[(1-phenylcyclohexyl)methyl]pyridine-3,5-dicarboxamide (CID 26403133) is 1-benzyl-5-N-ethyl-4-oxo-3-N-[(1-phenylcyclohexyl)methyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-benzyl-5-N-ethyl-4-oxo-3-N-[(1-phenylcyclohexyl)methyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 1-benzyl-5-N-ethyl-4-oxo-3-N-[(1-phenylcyclohexyl)methyl]pyridine-3,5-dicarboxamide is CCNC(=O)c1cn(Cc2ccccc2)cc(C(=O)NCC2(c3ccccc3)CCCCC2)c1=O.
What is the InChIKey of 1-benzyl-5-N-ethyl-4-oxo-3-N-[(1-phenylcyclohexyl)methyl]pyridine-3,5-dicarboxamide?
The InChIKey is OTLALYCSEFYLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c1-2-30-27(34)24-19-32(18-22-12-6-3-7-13-22)20-25(26(24)33)28(35)31-21-29(16-10-5-11-17-29)23-14-8-4-9-15-23/h3-4,6-9,12-15,19-20H,2,5,10-11,16-18,21H2,1H3,(H,30,34)(H,31,35).
What are the key properties of 1-benzyl-5-N-ethyl-4-oxo-3-N-[(1-phenylcyclohexyl)methyl]pyridine-3,5-dicarboxamide?
1-benzyl-5-N-ethyl-4-oxo-3-N-[(1-phenylcyclohexyl)methyl]pyridine-3,5-dicarboxamide has a molecular weight of 471.60 g/mol, XLogP of 4.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-N-ethyl-4-oxo-3-N-[(1-phenylcyclohexyl)methyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 26403133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).