N-[2-[3-aminopropyl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide

C11H18N4O2 — CID 115319258

IUPACN-[2-[3-aminopropyl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide
SMILESCN(CCCN)CC(=O)NC(=O)c1ccc[nH]1
InChIInChI=1S/C11H18N4O2/c1-15(7-3-5-12)8-10(16)14-11(17)9-4-2-6-13-9/h2,4,6,13H,3,5,7-8,12H2,1H3,(H,14,16,17)
InChIKeyXZMPYYTZFMTICZ-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.45
Rot. Bonds6

About N-[2-[3-aminopropyl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide

N-[2-[3-aminopropyl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide (PubChem CID 115319258) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[2-[3-aminopropyl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-aminopropyl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide
PubChem CID115319258
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-[2-[3-aminopropyl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide
SMILESCN(CCCN)CC(=O)NC(=O)c1ccc[nH]1
InChIInChI=1S/C11H18N4O2/c1-15(7-3-5-12)8-10(16)14-11(17)9-4-2-6-13-9/h2,4,6,13H,3,5,7-8,12H2,1H3,(H,14,16,17)
InChIKeyXZMPYYTZFMTICZ-UHFFFAOYSA-N
XLogP-0.45
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-aminoethyl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide
CID 62686626
N-[2-[2-aminoethyl(ethyl)amino]acetyl]-1H-pyrrole-2-carboxamide
CID 114231224
N-[2-[1-hydroxypropan-2-yl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide
CID 113426284
ethyl 2-[ethyl-[2-oxo-2-(1H-pyrrole-2-carbonylamino)ethyl]amino]acetate
CID 62026376
2-[3-aminopropyl(methyl)amino]-N-(methylcarbamoyl)acetamide
CID 81493509
2-[2-methoxyethyl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 61036387
N-[2-[2-aminoethyl(methyl)amino]acetyl]furan-2-carboxamide
CID 62687549
2-[5-aminopentyl(methyl)amino]-N-phenylacetamide
CID 107207153
[2-oxo-2-(1H-pyrrole-2-carbonylamino)ethyl] carbamimidothioate
CID 65211850
2-[3-aminopropyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 81493917
2-[3-aminopropyl(methyl)amino]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 81493847
N-[2-(2-hydroxyethylsulfanyl)acetyl]-1H-pyrrole-2-carboxamide
CID 43502574

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-aminopropyl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[2-[3-aminopropyl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide (CID 115319258) is N-[2-[3-aminopropyl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-[3-aminopropyl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[2-[3-aminopropyl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide is CN(CCCN)CC(=O)NC(=O)c1ccc[nH]1.
What is the InChIKey of N-[2-[3-aminopropyl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide?
The InChIKey is XZMPYYTZFMTICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-15(7-3-5-12)8-10(16)14-11(17)9-4-2-6-13-9/h2,4,6,13H,3,5,7-8,12H2,1H3,(H,14,16,17).
What are the key properties of N-[2-[3-aminopropyl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide?
N-[2-[3-aminopropyl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide has a molecular weight of 238.29 g/mol, XLogP of -0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-aminopropyl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 115319258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).