N-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide

C17H18N2O3 — CID 6487075

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide
SMILESCCC(=O)N(Cc1ccc2c(c1)OCO2)Cc1ccccn1
InChIInChI=1S/C17H18N2O3/c1-2-17(20)19(11-14-5-3-4-8-18-14)10-13-6-7-15-16(9-13)22-12-21-15/h3-9H,2,10-12H2,1H3
InChIKeyCJNTZTXGIBCCMD-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.75
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide

N-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 6487075) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID6487075
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide
SMILESCCC(=O)N(Cc1ccc2c(c1)OCO2)Cc1ccccn1
InChIInChI=1S/C17H18N2O3/c1-2-17(20)19(11-14-5-3-4-8-18-14)10-13-6-7-15-16(9-13)22-12-21-15/h3-9H,2,10-12H2,1H3
InChIKeyCJNTZTXGIBCCMD-UHFFFAOYSA-N
XLogP2.75
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-(2-pyridin-2-ylethyl)butanamide
CID 42724828
2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-(pyridin-2-ylmethyl)acetamide
CID 113163231
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-pyrimidin-2-ylsulfanylacetamide
CID 9202279
N-[[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 118756509
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide
CID 60655508
N-(1,3-benzodioxol-5-ylmethyl)-2-ethoxy-N-ethylpyridine-3-carboxamide
CID 17447267
3-(1,3-benzodioxol-5-yl)-N-(pyridin-2-ylmethyl)-N-(thiophen-3-ylmethyl)prop-2-enamide
CID 71960890
N-[[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]methyl]-3-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 74497350
1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxy-3-methylphenyl)-1-(pyridin-2-ylmethyl)thiourea
CID 4281244
1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dichlorophenyl)-1-(2-pyridin-2-ylethyl)urea
CID 42725101
N-[2-(1,3-benzodioxol-5-ylmethylamino)phenyl]-N-(pyridin-2-ylmethyl)acetamide
CID 140992504
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide
CID 60655471

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide (CID 6487075) is N-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide is CCC(=O)N(Cc1ccc2c(c1)OCO2)Cc1ccccn1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is CJNTZTXGIBCCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-2-17(20)19(11-14-5-3-4-8-18-14)10-13-6-7-15-16(9-13)22-12-21-15/h3-9H,2,10-12H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 298.34 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 6487075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).