N-cyclopropyl-2-[methyl-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]amino]acetamide

C13H19N3O2 — CID 60677016

IUPACN-cyclopropyl-2-[methyl-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]amino]acetamide
SMILESCN(CC(=O)NC1CC1)CC(=O)c1cccn1C
InChIInChI=1S/C13H19N3O2/c1-15(9-13(18)14-10-5-6-10)8-12(17)11-4-3-7-16(11)2/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,14,18)
InChIKeyJYQSIJFJVVBHBH-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.42
Rot. Bonds6

About N-cyclopropyl-2-[methyl-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]amino]acetamide

N-cyclopropyl-2-[methyl-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]amino]acetamide (PubChem CID 60677016) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-cyclopropyl-2-[methyl-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[methyl-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]amino]acetamide
PubChem CID60677016
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-cyclopropyl-2-[methyl-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]amino]acetamide
SMILESCN(CC(=O)NC1CC1)CC(=O)c1cccn1C
InChIInChI=1S/C13H19N3O2/c1-15(9-13(18)14-10-5-6-10)8-12(17)11-4-3-7-16(11)2/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,14,18)
InChIKeyJYQSIJFJVVBHBH-UHFFFAOYSA-N
XLogP0.42
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-cyclopropyl-2-[[2-(2,4-dichlorophenyl)-2-oxoethyl]-methylamino]acetamide
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2-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]pyrrol-1-yl]acetic acid
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2-cyclopropyl-1-(1-methylpyrrol-2-yl)ethanone
CID 152565416
[2-(cyclohexylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
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N-[4-[2-[(8R)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]ethyl]cyclohexyl]-2-[[2-[[4-[2-[(1S,8R)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]ethyl]cyclohexyl]amino]-2-oxoethyl]-methylamino]acetamide;2,2,2-trifluoroacetic acid
CID 162540536
2-[2-(3-aminopyrazol-1-yl)ethyl-methylamino]-N-cyclopropylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[methyl-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[methyl-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]amino]acetamide (CID 60677016) is N-cyclopropyl-2-[methyl-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[methyl-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[methyl-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]amino]acetamide is CN(CC(=O)NC1CC1)CC(=O)c1cccn1C.
What is the InChIKey of N-cyclopropyl-2-[methyl-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]amino]acetamide?
The InChIKey is JYQSIJFJVVBHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-15(9-13(18)14-10-5-6-10)8-12(17)11-4-3-7-16(11)2/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,14,18).
What are the key properties of N-cyclopropyl-2-[methyl-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]amino]acetamide?
N-cyclopropyl-2-[methyl-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]amino]acetamide has a molecular weight of 249.31 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[methyl-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 60677016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).