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

C10H16N4O2 — CID 62686626

IUPACN-[2-[2-aminoethyl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide
SMILESCN(CCN)CC(=O)NC(=O)c1ccc[nH]1
InChIInChI=1S/C10H16N4O2/c1-14(6-4-11)7-9(15)13-10(16)8-3-2-5-12-8/h2-3,5,12H,4,6-7,11H2,1H3,(H,13,15,16)
InChIKeyWHCNKFPGJIKMNT-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.84
Rot. Bonds5

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

N-[2-[2-aminoethyl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide (PubChem CID 62686626) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[2-[2-aminoethyl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-aminoethyl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide
PubChem CID62686626
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-[2-[2-aminoethyl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide
SMILESCN(CCN)CC(=O)NC(=O)c1ccc[nH]1
InChIInChI=1S/C10H16N4O2/c1-14(6-4-11)7-9(15)13-10(16)8-3-2-5-12-8/h2-3,5,12H,4,6-7,11H2,1H3,(H,13,15,16)
InChIKeyWHCNKFPGJIKMNT-UHFFFAOYSA-N
XLogP-0.84
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-Acetylpyrrole
CID 14079
Pyrrole-2-carboxaldehyde
CID 13854
2-Propionylpyrrole
CID 61260
1H-pyrrole-2-carboxamide
CID 573553
N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 1489242
N-phenyl-1H-pyrrole-2-carboxamide
CID 899774
N-benzyl-1H-pyrrole-2-carboxamide
CID 11019886
N-benzyl-N-methyl-1H-pyrrole-2-carboxamide
CID 11085165
N-2-phenylethyl-1H-pyrrole-2-carboxamide
CID 16110286
N-(3-phenylpropyl)-1H-pyrrole-2-carboxamide
CID 16110288
N-propargyl-1H-pyrrole-2-carboxamide
CID 16110305
N-((4-Methylphenyl)methyl)-1H-pyrrole-2-carboxamide
CID 1489245

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-aminoethyl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[2-[2-aminoethyl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide (CID 62686626) is N-[2-[2-aminoethyl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-[2-aminoethyl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[2-[2-aminoethyl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide is CN(CCN)CC(=O)NC(=O)c1ccc[nH]1.
What is the InChIKey of N-[2-[2-aminoethyl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide?
The InChIKey is WHCNKFPGJIKMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-14(6-4-11)7-9(15)13-10(16)8-3-2-5-12-8/h2-3,5,12H,4,6-7,11H2,1H3,(H,13,15,16).
What are the key properties of N-[2-[2-aminoethyl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide?
N-[2-[2-aminoethyl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide has a molecular weight of 224.26 g/mol, XLogP of -0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-aminoethyl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 62686626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).