2-N-benzyl-3-cyclopentyl-2-N-methoxypyridine-2,4-dicarboxamide

C20H23N3O3 — CID 87690652

IUPAC2-N-benzyl-3-cyclopentyl-2-N-methoxypyridine-2,4-dicarboxamide
SMILESCON(Cc1ccccc1)C(=O)c1nccc(C(N)=O)c1C1CCCC1
InChIInChI=1S/C20H23N3O3/c1-26-23(13-14-7-3-2-4-8-14)20(25)18-17(15-9-5-6-10-15)16(19(21)24)11-12-22-18/h2-4,7-8,11-12,15H,5-6,9-10,13H2,1H3,(H2,21,24)
InChIKeyPZPIRLVNDFMMNI-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.04
Rot. Bonds6

About 2-N-benzyl-3-cyclopentyl-2-N-methoxypyridine-2,4-dicarboxamide

2-N-benzyl-3-cyclopentyl-2-N-methoxypyridine-2,4-dicarboxamide (PubChem CID 87690652) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-N-benzyl-3-cyclopentyl-2-N-methoxypyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-benzyl-3-cyclopentyl-2-N-methoxypyridine-2,4-dicarboxamide
PubChem CID87690652
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-N-benzyl-3-cyclopentyl-2-N-methoxypyridine-2,4-dicarboxamide
SMILESCON(Cc1ccccc1)C(=O)c1nccc(C(N)=O)c1C1CCCC1
InChIInChI=1S/C20H23N3O3/c1-26-23(13-14-7-3-2-4-8-14)20(25)18-17(15-9-5-6-10-15)16(19(21)24)11-12-22-18/h2-4,7-8,11-12,15H,5-6,9-10,13H2,1H3,(H2,21,24)
InChIKeyPZPIRLVNDFMMNI-UHFFFAOYSA-N
XLogP3.04
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N-benzyl-3-cyclopentyl-2-N-methoxybenzene-1,2-dicarboxamide
CID 87690599
3-cyclohexyl-2-N-morpholin-4-yl-2-N-propylpyridine-2,4-dicarboxamide
CID 69091571
3-N-benzyl-2-cyclohexyl-4-methoxybenzene-1,3-dicarboxamide
CID 69091548
N-benzyl-2-hydroxy-N-methoxybenzamide
CID 135068779
3-(4-hydroxycyclohexyl)-2-N-methylpyridine-2,4-dicarboxamide
CID 138706684
methyl 2-cyclohexyl-2-(dibenzylamino)propanoate
CID 174673383
N-benzyl-6-(cycloheptylamino)-N-methylpyridazine-3-carboxamide
CID 109119083
2-cyclohexyl-3-N-[methoxy(phenyl)methyl]benzene-1,3-dicarboxamide
CID 69091547
N-benzyl-N-methoxyprop-2-enamide
CID 86239438
2,4-dicyclohexyl-3-methoxybenzamide;hydrochloride
CID 162099557
3-[benzyl-[(2-cyclohexylpyrimidin-5-yl)methyl]amino]propanamide
CID 91794453
3-amino-2-cyclohexyl-4-methylbenzamide
CID 19091643

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-3-cyclopentyl-2-N-methoxypyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-benzyl-3-cyclopentyl-2-N-methoxypyridine-2,4-dicarboxamide (CID 87690652) is 2-N-benzyl-3-cyclopentyl-2-N-methoxypyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-benzyl-3-cyclopentyl-2-N-methoxypyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-benzyl-3-cyclopentyl-2-N-methoxypyridine-2,4-dicarboxamide is CON(Cc1ccccc1)C(=O)c1nccc(C(N)=O)c1C1CCCC1.
What is the InChIKey of 2-N-benzyl-3-cyclopentyl-2-N-methoxypyridine-2,4-dicarboxamide?
The InChIKey is PZPIRLVNDFMMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-26-23(13-14-7-3-2-4-8-14)20(25)18-17(15-9-5-6-10-15)16(19(21)24)11-12-22-18/h2-4,7-8,11-12,15H,5-6,9-10,13H2,1H3,(H2,21,24).
What are the key properties of 2-N-benzyl-3-cyclopentyl-2-N-methoxypyridine-2,4-dicarboxamide?
2-N-benzyl-3-cyclopentyl-2-N-methoxypyridine-2,4-dicarboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-3-cyclopentyl-2-N-methoxypyridine-2,4-dicarboxamide is sourced from PubChem (CID 87690652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).