1-(1,3-benzodioxol-5-yl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide

C19H20N2O3 — CID 113198851

IUPAC1-(1,3-benzodioxol-5-yl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide
SMILESCN(CCc1ccncc1)C(=O)C1(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C19H20N2O3/c1-21(11-6-14-4-9-20-10-5-14)18(22)19(7-8-19)15-2-3-16-17(12-15)24-13-23-16/h2-5,9-10,12H,6-8,11,13H2,1H3
InChIKeyHGWSYAUHBZIJRN-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.54
Rot. Bonds5

About 1-(1,3-benzodioxol-5-yl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide

1-(1,3-benzodioxol-5-yl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide (PubChem CID 113198851) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide
PubChem CID113198851
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide
SMILESCN(CCc1ccncc1)C(=O)C1(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C19H20N2O3/c1-21(11-6-14-4-9-20-10-5-14)18(22)19(7-8-19)15-2-3-16-17(12-15)24-13-23-16/h2-5,9-10,12H,6-8,11,13H2,1H3
InChIKeyHGWSYAUHBZIJRN-UHFFFAOYSA-N
XLogP2.54
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(1,3-benzodioxol-5-yl)ethyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea
CID 113217368
2-(1,3-benzodioxol-5-ylamino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 109001593
N-(1,3-benzodioxol-5-ylmethyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108947159
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 109001489
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 113198650
1-N-butyl-1-N,1-N'-dimethyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108977831
2-(1,3-benzodioxol-5-ylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109309098
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-N-methylcyclobutane-1-carboxamide
CID 9168076
1-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 113198842
1-(5-methoxy-1H-indol-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide
CID 113210773
N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113013536
N-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpropanamide
CID 110468454

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide (CID 113198851) is 1-(1,3-benzodioxol-5-yl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide is CN(CCc1ccncc1)C(=O)C1(c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide?
The InChIKey is HGWSYAUHBZIJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-21(11-6-14-4-9-20-10-5-14)18(22)19(7-8-19)15-2-3-16-17(12-15)24-13-23-16/h2-5,9-10,12H,6-8,11,13H2,1H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide?
1-(1,3-benzodioxol-5-yl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113198851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).