N-(1,3-benzodioxol-5-yl)-2-(pyridin-4-ylmethylamino)acetamide

C15H15N3O3 — CID 108999711

IUPACN-(1,3-benzodioxol-5-yl)-2-(pyridin-4-ylmethylamino)acetamide
SMILESO=C(CNCc1ccncc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H15N3O3/c19-15(9-17-8-11-3-5-16-6-4-11)18-12-1-2-13-14(7-12)21-10-20-13/h1-7,17H,8-10H2,(H,18,19)
InChIKeyMNNLCKPKUSETSB-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.54
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2-(pyridin-4-ylmethylamino)acetamide

N-(1,3-benzodioxol-5-yl)-2-(pyridin-4-ylmethylamino)acetamide (PubChem CID 108999711) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(pyridin-4-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(pyridin-4-ylmethylamino)acetamide
PubChem CID108999711
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(pyridin-4-ylmethylamino)acetamide
SMILESO=C(CNCc1ccncc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H15N3O3/c19-15(9-17-8-11-3-5-16-6-4-11)18-12-1-2-13-14(7-12)21-10-20-13/h1-7,17H,8-10H2,(H,18,19)
InChIKeyMNNLCKPKUSETSB-UHFFFAOYSA-N
XLogP1.54
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzodioxol-5-ylmethylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 108998669
N-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpropanamide
CID 110468454
N-(3,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 108999660
N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylamino)acetamide
CID 2560584
4-N-(1,3-benzodioxol-5-yl)-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148941
2-(1,3-benzodioxol-5-ylmethylamino)-N-[4-(diethylamino)phenyl]acetamide
CID 108998771
N-(1,3-benzodioxol-5-yl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 108994545
3-N-(1,3-benzodioxol-5-yl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055244
N-(1,3-benzodioxol-5-ylmethyl)-3-(pyridin-4-ylmethylamino)propanamide
CID 109022575
N-[4-(azepan-1-yl)phenyl]-2-(1,3-benzodioxol-5-ylmethylamino)acetamide
CID 43816680
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 108999855
2-amino-N-(1,3-benzodioxol-5-yl)acetamide
CID 22690417

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(pyridin-4-ylmethylamino)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(pyridin-4-ylmethylamino)acetamide (CID 108999711) is N-(1,3-benzodioxol-5-yl)-2-(pyridin-4-ylmethylamino)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(pyridin-4-ylmethylamino)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(pyridin-4-ylmethylamino)acetamide is O=C(CNCc1ccncc1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(pyridin-4-ylmethylamino)acetamide?
The InChIKey is MNNLCKPKUSETSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-15(9-17-8-11-3-5-16-6-4-11)18-12-1-2-13-14(7-12)21-10-20-13/h1-7,17H,8-10H2,(H,18,19).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(pyridin-4-ylmethylamino)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(pyridin-4-ylmethylamino)acetamide has a molecular weight of 285.30 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(pyridin-4-ylmethylamino)acetamide is sourced from PubChem (CID 108999711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).