1-benzyl-5-N-[(1R,2R)-2-hydroxycyclohexyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide

C21H25N3O4 — CID 139538101

IUPAC1-benzyl-5-N-[(1R,2R)-2-hydroxycyclohexyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)N[C@@H]2CCCC[C@H]2O)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C21H25N3O4/c1-22-20(27)16-11-15(19(26)23-17-9-5-6-10-18(17)25)13-24(21(16)28)12-14-7-3-2-4-8-14/h2-4,7-8,11,13,17-18,25H,5-6,9-10,12H2,1H3,(H,22,27)(H,23,26)/t17-,18-/m1/s1
InChIKeyWIWMENNNWJUMNI-QZTJIDSGSA-N
MW383.45 g/mol
LogP1.29
Rot. Bonds5

About 1-benzyl-5-N-[(1R,2R)-2-hydroxycyclohexyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide

1-benzyl-5-N-[(1R,2R)-2-hydroxycyclohexyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide (PubChem CID 139538101) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-benzyl-5-N-[(1R,2R)-2-hydroxycyclohexyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-benzyl-5-N-[(1R,2R)-2-hydroxycyclohexyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
PubChem CID139538101
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name1-benzyl-5-N-[(1R,2R)-2-hydroxycyclohexyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)N[C@@H]2CCCC[C@H]2O)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C21H25N3O4/c1-22-20(27)16-11-15(19(26)23-17-9-5-6-10-18(17)25)13-24(21(16)28)12-14-7-3-2-4-8-14/h2-4,7-8,11,13,17-18,25H,5-6,9-10,12H2,1H3,(H,22,27)(H,23,26)/t17-,18-/m1/s1
InChIKeyWIWMENNNWJUMNI-QZTJIDSGSA-N
XLogP1.29
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-5-N-[(1R,2R)-2-hydroxycyclohexyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide with MolForge

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Related Compounds

1-benzyl-3-N-methyl-5-N-[(1S,2S)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide
CID 126675355
1-benzyl-5-N-[(1S,3R)-3-hydroxycyclohexyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 135323832
1-benzyl-3-N-methyl-2-oxo-5-N-[(1R,2R)-2-propylcyclopropyl]pyridine-3,5-dicarboxamide
CID 139538162
tert-butyl 2-[(1R,2S)-2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]cyclopropyl]acetate
CID 139538195
5-N-cyclopropyl-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126648895
3-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propylcarbamic acid
CID 135341859
1-[(4-fluorophenyl)methyl]-5-N-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126676131
1-benzyl-3-N-methyl-2-oxo-5-N-pyridazin-4-ylpyridine-3,5-dicarboxamide
CID 135341776
5-N-cyclopropyl-1-[[3-[(1S)-1-hydroxyethyl]phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 139538194
1-benzyl-N-methyl-5-[3-(oxan-4-yl)propanoyl]-2-oxopyridine-3-carboxamide
CID 160654627
1-benzyl-3-N-methyl-2-oxo-5-N-(3-piperidin-1-ylpropyl)pyridine-3,5-dicarboxamide
CID 126721294
5-N-cyclopropyl-3-N-methyl-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3,5-dicarboxamide
CID 126676097

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-N-[(1R,2R)-2-hydroxycyclohexyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 1-benzyl-5-N-[(1R,2R)-2-hydroxycyclohexyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide (CID 139538101) is 1-benzyl-5-N-[(1R,2R)-2-hydroxycyclohexyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-benzyl-5-N-[(1R,2R)-2-hydroxycyclohexyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 1-benzyl-5-N-[(1R,2R)-2-hydroxycyclohexyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)N[C@@H]2CCCC[C@H]2O)cn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-5-N-[(1R,2R)-2-hydroxycyclohexyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide?
The InChIKey is WIWMENNNWJUMNI-QZTJIDSGSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-22-20(27)16-11-15(19(26)23-17-9-5-6-10-18(17)25)13-24(21(16)28)12-14-7-3-2-4-8-14/h2-4,7-8,11,13,17-18,25H,5-6,9-10,12H2,1H3,(H,22,27)(H,23,26)/t17-,18-/m1/s1.
What are the key properties of 1-benzyl-5-N-[(1R,2R)-2-hydroxycyclohexyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide?
1-benzyl-5-N-[(1R,2R)-2-hydroxycyclohexyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide has a molecular weight of 383.45 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-N-[(1R,2R)-2-hydroxycyclohexyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 139538101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).