1-N'-methyl-1-N-(oxolan-2-ylmethyl)-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide

C18H25N3O3 — CID 108973247

IUPAC1-N'-methyl-1-N-(oxolan-2-ylmethyl)-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
SMILESCN(CCc1ccncc1)C(=O)C1(C(=O)NCC2CCCO2)CC1
InChIInChI=1S/C18H25N3O3/c1-21(11-6-14-4-9-19-10-5-14)17(23)18(7-8-18)16(22)20-13-15-3-2-12-24-15/h4-5,9-10,15H,2-3,6-8,11-13H2,1H3,(H,20,22)
InChIKeyZAELAPFBKOGCRQ-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.16
Rot. Bonds7

About 1-N'-methyl-1-N-(oxolan-2-ylmethyl)-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide

1-N'-methyl-1-N-(oxolan-2-ylmethyl)-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108973247) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-N'-methyl-1-N-(oxolan-2-ylmethyl)-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-methyl-1-N-(oxolan-2-ylmethyl)-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
PubChem CID108973247
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-N'-methyl-1-N-(oxolan-2-ylmethyl)-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
SMILESCN(CCc1ccncc1)C(=O)C1(C(=O)NCC2CCCO2)CC1
InChIInChI=1S/C18H25N3O3/c1-21(11-6-14-4-9-19-10-5-14)17(23)18(7-8-18)16(22)20-13-15-3-2-12-24-15/h4-5,9-10,15H,2-3,6-8,11-13H2,1H3,(H,20,22)
InChIKeyZAELAPFBKOGCRQ-UHFFFAOYSA-N
XLogP1.16
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N'-benzyl-1-N'-methyl-1-N-(oxolan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108973228
1-N-[2-(4-chlorophenyl)ethyl]-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108977816
N-[[(2S)-oxolan-2-yl]methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 124951201
1-N'-benzyl-1-N-(oxolan-2-ylmethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108973277
1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108977897
1-N-butyl-1-N,1-N'-dimethyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108977831
N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 110733149
N-methyl-2-[[(2R)-oxan-2-yl]methoxy]-N-(2-pyridin-4-ylethyl)acetamide
CID 99933824
N-(oxolan-2-ylmethyl)-2-phenyl-3-pyridin-4-ylpropanamide
CID 110407872
1-methyl-3-(oxolan-2-ylmethyl)-1-(2-pyrazin-2-ylethyl)urea
CID 75398743
1-N-(oxolan-2-ylmethyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108973227
N-methyl-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide
CID 110690019

Frequently Asked Questions

What is the IUPAC name of 1-N'-methyl-1-N-(oxolan-2-ylmethyl)-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-methyl-1-N-(oxolan-2-ylmethyl)-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide (CID 108973247) is 1-N'-methyl-1-N-(oxolan-2-ylmethyl)-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-methyl-1-N-(oxolan-2-ylmethyl)-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-methyl-1-N-(oxolan-2-ylmethyl)-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide is CN(CCc1ccncc1)C(=O)C1(C(=O)NCC2CCCO2)CC1.
What is the InChIKey of 1-N'-methyl-1-N-(oxolan-2-ylmethyl)-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is ZAELAPFBKOGCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-21(11-6-14-4-9-19-10-5-14)17(23)18(7-8-18)16(22)20-13-15-3-2-12-24-15/h4-5,9-10,15H,2-3,6-8,11-13H2,1H3,(H,20,22).
What are the key properties of 1-N'-methyl-1-N-(oxolan-2-ylmethyl)-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
1-N'-methyl-1-N-(oxolan-2-ylmethyl)-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-methyl-1-N-(oxolan-2-ylmethyl)-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108973247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).