4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1H-pyrrole-2-carboxamide

C14H15N3O3 — CID 61118099

IUPAC4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1H-pyrrole-2-carboxamide
SMILESCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(N)c[nH]1
InChIInChI=1S/C14H15N3O3/c1-17(14(18)11-5-10(15)6-16-11)7-9-2-3-12-13(4-9)20-8-19-12/h2-6,16H,7-8,15H2,1H3
InChIKeyYRPAOBWQZAYBKV-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.60
Rot. Bonds3

About 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1H-pyrrole-2-carboxamide

4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 61118099) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID61118099
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1H-pyrrole-2-carboxamide
SMILESCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(N)c[nH]1
InChIInChI=1S/C14H15N3O3/c1-17(14(18)11-5-10(15)6-16-11)7-9-2-3-12-13(4-9)20-8-19-12/h2-6,16H,7-8,15H2,1H3
InChIKeyYRPAOBWQZAYBKV-UHFFFAOYSA-N
XLogP1.60
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 24548625
N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-N-methylbenzamide
CID 46653258
4-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 61107986
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1H-indole-2-carboxamide
CID 26444163
4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 62081233
2-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 62786857
5-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-N-methylthiophene-2-carboxamide
CID 18116239
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-N-methylfuran-2-carboxamide
CID 32754750
N-(1,3-benzodioxol-5-ylmethyl)-3,5-dichloro-N-methylbenzamide
CID 27863693
3-N-(1,3-benzodioxol-5-ylmethyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 35710064
N-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethylpyridine-2-carboxamide
CID 32773709
4-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 61114285

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1H-pyrrole-2-carboxamide (CID 61118099) is 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1H-pyrrole-2-carboxamide is CN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(N)c[nH]1.
What is the InChIKey of 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is YRPAOBWQZAYBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-17(14(18)11-5-10(15)6-16-11)7-9-2-3-12-13(4-9)20-8-19-12/h2-6,16H,7-8,15H2,1H3.
What are the key properties of 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1H-pyrrole-2-carboxamide?
4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 61118099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).