4-amino-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide

C11H18N4O2 — CID 113404969

IUPAC4-amino-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide
SMILESCC(C)CNC(=O)CNC(=O)c1cc(N)c[nH]1
InChIInChI=1S/C11H18N4O2/c1-7(2)4-14-10(16)6-15-11(17)9-3-8(12)5-13-9/h3,5,7,13H,4,6,12H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyQTAZOUMMLGAULR-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.10
Rot. Bonds5

About 4-amino-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide

4-amino-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide (PubChem CID 113404969) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-amino-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide
PubChem CID113404969
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-amino-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide
SMILESCC(C)CNC(=O)CNC(=O)c1cc(N)c[nH]1
InChIInChI=1S/C11H18N4O2/c1-7(2)4-14-10(16)6-15-11(17)9-3-8(12)5-13-9/h3,5,7,13H,4,6,12H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyQTAZOUMMLGAULR-UHFFFAOYSA-N
XLogP0.10
TPSA100.01 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-hydroxypropyl)-1H-pyrrole-2-carboxamide
CID 43643618
3-amino-5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 112687782
4-amino-N-(2-propan-2-yloxyethyl)-1H-pyrrole-2-carboxamide
CID 104758195
4-amino-N-butan-2-yl-1H-pyrrole-2-carboxamide
CID 43641940
4-ethyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide
CID 142183525
5-amino-2,4-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 102705881
4-amino-N-[1-(dimethylamino)propan-2-yl]-1H-pyrrole-2-carboxamide
CID 82945173
4-amino-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide
CID 63228691
1-(4-amino-1H-pyrrol-2-yl)-2-methylpropan-1-one
CID 131275798
2-(4-aminophenyl)-N-(2-methylpropyl)acetamide
CID 16776382
N-(2-methylpropyl)-4-oxo-1H-pyridine-2-carboxamide
CID 110848373
4-amino-N-(2-piperidin-1-ylethyl)-1H-pyrrole-2-carboxamide
CID 54967566

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide (CID 113404969) is 4-amino-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide is CC(C)CNC(=O)CNC(=O)c1cc(N)c[nH]1.
What is the InChIKey of 4-amino-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is QTAZOUMMLGAULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-7(2)4-14-10(16)6-15-11(17)9-3-8(12)5-13-9/h3,5,7,13H,4,6,12H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 4-amino-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide?
4-amino-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.10, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 113404969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).