1-(cyclohexylmethyl)-5-N-ethyl-4-oxo-3-N-[phenyl(pyridin-4-yl)methyl]pyridine-3,5-dicarboxamide

C28H32N4O3 — CID 45226945

IUPAC1-(cyclohexylmethyl)-5-N-ethyl-4-oxo-3-N-[phenyl(pyridin-4-yl)methyl]pyridine-3,5-dicarboxamide
SMILESCCNC(=O)c1cn(CC2CCCCC2)cc(C(=O)NC(c2ccccc2)c2ccncc2)c1=O
InChIInChI=1S/C28H32N4O3/c1-2-30-27(34)23-18-32(17-20-9-5-3-6-10-20)19-24(26(23)33)28(35)31-25(21-11-7-4-8-12-21)22-13-15-29-16-14-22/h4,7-8,11-16,18-20,25H,2-3,5-6,9-10,17H2,1H3,(H,30,34)(H,31,35)
InChIKeyZFOQKHOTRJFVNI-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.09
Rot. Bonds8

About 1-(cyclohexylmethyl)-5-N-ethyl-4-oxo-3-N-[phenyl(pyridin-4-yl)methyl]pyridine-3,5-dicarboxamide

1-(cyclohexylmethyl)-5-N-ethyl-4-oxo-3-N-[phenyl(pyridin-4-yl)methyl]pyridine-3,5-dicarboxamide (PubChem CID 45226945) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-5-N-ethyl-4-oxo-3-N-[phenyl(pyridin-4-yl)methyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-5-N-ethyl-4-oxo-3-N-[phenyl(pyridin-4-yl)methyl]pyridine-3,5-dicarboxamide
PubChem CID45226945
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC Name1-(cyclohexylmethyl)-5-N-ethyl-4-oxo-3-N-[phenyl(pyridin-4-yl)methyl]pyridine-3,5-dicarboxamide
SMILESCCNC(=O)c1cn(CC2CCCCC2)cc(C(=O)NC(c2ccccc2)c2ccncc2)c1=O
InChIInChI=1S/C28H32N4O3/c1-2-30-27(34)23-18-32(17-20-9-5-3-6-10-20)19-24(26(23)33)28(35)31-25(21-11-7-4-8-12-21)22-13-15-29-16-14-22/h4,7-8,11-16,18-20,25H,2-3,5-6,9-10,17H2,1H3,(H,30,34)(H,31,35)
InChIKeyZFOQKHOTRJFVNI-UHFFFAOYSA-N
XLogP4.09
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclohexylmethyl)-3-N,3-N-dimethyl-4-oxo-5-N-[(2S)-2-phenylpropyl]pyridine-3,5-dicarboxamide
CID 26343601
1-cyclohexyl-4-oxo-N-[(R)-phenyl(pyridin-4-yl)methyl]-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 26277522
1-cyclopentyl-5-N-ethyl-3-N-[furan-2-yl(phenyl)methyl]-4-oxopyridine-3,5-dicarboxamide
CID 45232910
1-cyclopentyl-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 42471917
2-(1-ethylpiperidin-4-yl)-N-[phenyl(pyridin-4-yl)methyl]acetamide
CID 72915989
1-benzhydryl-3-(cyclohexylmethyl)urea
CID 108902827
3-N-[(1R)-1-(2-chlorophenyl)ethyl]-5-N-ethyl-4-oxo-1-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 26332016
1-(cyclohexylmethyl)-5-N-[(3,4-difluorophenyl)methyl]-3-N,3-N-dimethyl-4-oxopyridine-3,5-dicarboxamide
CID 42164159
3-N-benzyl-3-N-butyl-1-(cyclohexylmethyl)-5-N,5-N-dimethyl-4-oxopyridine-3,5-dicarboxamide
CID 26332084
3-N-[(4-chlorophenyl)-phenylmethyl]-5-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
CID 45228304
1-(1-ethylpiperidin-4-yl)-3-[(R)-phenyl(pyridin-4-yl)methyl]urea
CID 95571044
ethyl (2R)-1-[1-benzyl-5-(ethylcarbamoyl)-4-oxopyridine-3-carbonyl]piperidine-2-carboxylate
CID 26361192

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-5-N-ethyl-4-oxo-3-N-[phenyl(pyridin-4-yl)methyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-5-N-ethyl-4-oxo-3-N-[phenyl(pyridin-4-yl)methyl]pyridine-3,5-dicarboxamide (CID 45226945) is 1-(cyclohexylmethyl)-5-N-ethyl-4-oxo-3-N-[phenyl(pyridin-4-yl)methyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-5-N-ethyl-4-oxo-3-N-[phenyl(pyridin-4-yl)methyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-5-N-ethyl-4-oxo-3-N-[phenyl(pyridin-4-yl)methyl]pyridine-3,5-dicarboxamide is CCNC(=O)c1cn(CC2CCCCC2)cc(C(=O)NC(c2ccccc2)c2ccncc2)c1=O.
What is the InChIKey of 1-(cyclohexylmethyl)-5-N-ethyl-4-oxo-3-N-[phenyl(pyridin-4-yl)methyl]pyridine-3,5-dicarboxamide?
The InChIKey is ZFOQKHOTRJFVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3/c1-2-30-27(34)23-18-32(17-20-9-5-3-6-10-20)19-24(26(23)33)28(35)31-25(21-11-7-4-8-12-21)22-13-15-29-16-14-22/h4,7-8,11-16,18-20,25H,2-3,5-6,9-10,17H2,1H3,(H,30,34)(H,31,35).
What are the key properties of 1-(cyclohexylmethyl)-5-N-ethyl-4-oxo-3-N-[phenyl(pyridin-4-yl)methyl]pyridine-3,5-dicarboxamide?
1-(cyclohexylmethyl)-5-N-ethyl-4-oxo-3-N-[phenyl(pyridin-4-yl)methyl]pyridine-3,5-dicarboxamide has a molecular weight of 472.59 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-5-N-ethyl-4-oxo-3-N-[phenyl(pyridin-4-yl)methyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 45226945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).