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

C25H31N3O4 — CID 26336152

IUPAC1-cyclohexyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
SMILESCOc1cccc(CN(C)C(=O)c2cn(C3CCCCC3)cc(C(=O)NC3CC3)c2=O)c1
InChIInChI=1S/C25H31N3O4/c1-27(14-17-7-6-10-20(13-17)32-2)25(31)22-16-28(19-8-4-3-5-9-19)15-21(23(22)29)24(30)26-18-11-12-18/h6-7,10,13,15-16,18-19H,3-5,8-9,11-12,14H2,1-2H3,(H,26,30)
InChIKeyXUWCDPUFPYDIJI-UHFFFAOYSA-N
MW437.54 g/mol
LogP3.53
Rot. Bonds7

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

1-cyclohexyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide (PubChem CID 26336152) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is 1-cyclohexyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-cyclohexyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
PubChem CID26336152
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Name1-cyclohexyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
SMILESCOc1cccc(CN(C)C(=O)c2cn(C3CCCCC3)cc(C(=O)NC3CC3)c2=O)c1
InChIInChI=1S/C25H31N3O4/c1-27(14-17-7-6-10-20(13-17)32-2)25(31)22-16-28(19-8-4-3-5-9-19)15-21(23(22)29)24(30)26-18-11-12-18/h6-7,10,13,15-16,18-19H,3-5,8-9,11-12,14H2,1-2H3,(H,26,30)
InChIKeyXUWCDPUFPYDIJI-UHFFFAOYSA-N
XLogP3.53
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-tert-butyl-1-cyclohexyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 42192459
1-benzyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 26279029
3-N-cycloheptyl-1-cyclopropyl-5-N-[2-(4-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide
CID 42540450
1-cyclopentyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 42366923
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
3-cyclopentyl-1-[(3-methoxyphenyl)methyl]-1-methylthiourea
CID 116507613
3-N-benzyl-5-N-cyclooctyl-3-N-methyl-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 42433369
3-N-benzyl-5-N-cyclooctyl-3-N-methyl-4-oxo-1-[[(2S)-oxolan-2-yl]methyl]pyridine-3,5-dicarboxamide
CID 26348037
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
N-[2-[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]ethyl]cyclopentanecarboxamide
CID 60612591
N-(cyclohexylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62558136
4-N-cycloheptyl-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 109048043

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 1-cyclohexyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide (CID 26336152) is 1-cyclohexyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-cyclohexyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 1-cyclohexyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide is COc1cccc(CN(C)C(=O)c2cn(C3CCCCC3)cc(C(=O)NC3CC3)c2=O)c1.
What is the InChIKey of 1-cyclohexyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide?
The InChIKey is XUWCDPUFPYDIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-27(14-17-7-6-10-20(13-17)32-2)25(31)22-16-28(19-8-4-3-5-9-19)15-21(23(22)29)24(30)26-18-11-12-18/h6-7,10,13,15-16,18-19H,3-5,8-9,11-12,14H2,1-2H3,(H,26,30).
What are the key properties of 1-cyclohexyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide?
1-cyclohexyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide has a molecular weight of 437.54 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 26336152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).