5-N-tert-butyl-1-cyclohexyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide

C26H35N3O4 — CID 42192459

IUPAC5-N-tert-butyl-1-cyclohexyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
SMILESCOc1cccc(CN(C)C(=O)c2cn(C3CCCCC3)cc(C(=O)NC(C)(C)C)c2=O)c1
InChIInChI=1S/C26H35N3O4/c1-26(2,3)27-24(31)21-16-29(19-11-7-6-8-12-19)17-22(23(21)30)25(32)28(4)15-18-10-9-13-20(14-18)33-5/h9-10,13-14,16-17,19H,6-8,11-12,15H2,1-5H3,(H,27,31)
InChIKeyJJDOMSBQYMIPDW-UHFFFAOYSA-N
MW453.58 g/mol
LogP4.16
Rot. Bonds6

About 5-N-tert-butyl-1-cyclohexyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide

5-N-tert-butyl-1-cyclohexyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide (PubChem CID 42192459) has the molecular formula C26H35N3O4 and a molecular weight of 453.58 g/mol. Its IUPAC name is 5-N-tert-butyl-1-cyclohexyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-tert-butyl-1-cyclohexyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
PubChem CID42192459
Molecular FormulaC26H35N3O4
Molecular Weight453.58 g/mol
Exact Mass453.26
IUPAC Name5-N-tert-butyl-1-cyclohexyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
SMILESCOc1cccc(CN(C)C(=O)c2cn(C3CCCCC3)cc(C(=O)NC(C)(C)C)c2=O)c1
InChIInChI=1S/C26H35N3O4/c1-26(2,3)27-24(31)21-16-29(19-11-7-6-8-12-19)17-22(23(21)30)25(32)28(4)15-18-10-9-13-20(14-18)33-5/h9-10,13-14,16-17,19H,6-8,11-12,15H2,1-5H3,(H,27,31)
InChIKeyJJDOMSBQYMIPDW-UHFFFAOYSA-N
XLogP4.16
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.58
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

1-cyclohexyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 26336152
1-benzyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 26279029
1-cyclopentyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 42366923
3-N-tert-butyl-1-cyclohexyl-5-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxopyridine-3,5-dicarboxamide
CID 26349853
N-tert-butyl-1-cyclohexyl-5-(4-cyclopentylpiperazine-1-carbonyl)-4-oxopyridine-3-carboxamide
CID 26345811
5-N-cyclohexyl-1-cyclopropyl-3-N-methyl-4-oxo-3-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3,5-dicarboxamide
CID 42421580
N-[2-[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]ethyl]cyclopentanecarboxamide
CID 60612591
N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630648
N-tert-butyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]-1-(3-methylbutyl)-4-oxopyridine-3-carboxamide
CID 26357909
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
1-cyclopentyl-5-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 42471912
2,5-dihydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 107722488

Frequently Asked Questions

What is the IUPAC name of 5-N-tert-butyl-1-cyclohexyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-tert-butyl-1-cyclohexyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide (CID 42192459) is 5-N-tert-butyl-1-cyclohexyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-tert-butyl-1-cyclohexyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-tert-butyl-1-cyclohexyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide is COc1cccc(CN(C)C(=O)c2cn(C3CCCCC3)cc(C(=O)NC(C)(C)C)c2=O)c1.
What is the InChIKey of 5-N-tert-butyl-1-cyclohexyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide?
The InChIKey is JJDOMSBQYMIPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O4/c1-26(2,3)27-24(31)21-16-29(19-11-7-6-8-12-19)17-22(23(21)30)25(32)28(4)15-18-10-9-13-20(14-18)33-5/h9-10,13-14,16-17,19H,6-8,11-12,15H2,1-5H3,(H,27,31).
What are the key properties of 5-N-tert-butyl-1-cyclohexyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide?
5-N-tert-butyl-1-cyclohexyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide has a molecular weight of 453.58 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-tert-butyl-1-cyclohexyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 42192459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).