N-(2-amino-2-ethylbutyl)-5-nitro-1H-pyrrole-2-carboxamide;hydrochloride

C11H19ClN4O3 — CID 119641038

IUPACN-(2-amino-2-ethylbutyl)-5-nitro-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1ccc([N+](=O)[O-])[nH]1.Cl
InChIInChI=1S/C11H18N4O3.ClH/c1-3-11(12,4-2)7-13-10(16)8-5-6-9(14-8)15(17)18;/h5-6,14H,3-4,7,12H2,1-2H3,(H,13,16);1H
InChIKeyNKCBFAHQLBMTFH-UHFFFAOYSA-N
MW290.75 g/mol
LogP1.59
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-5-nitro-1H-pyrrole-2-carboxamide;hydrochloride

N-(2-amino-2-ethylbutyl)-5-nitro-1H-pyrrole-2-carboxamide;hydrochloride (PubChem CID 119641038) has the molecular formula C11H19ClN4O3 and a molecular weight of 290.75 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-5-nitro-1H-pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-5-nitro-1H-pyrrole-2-carboxamide;hydrochloride
PubChem CID119641038
Molecular FormulaC11H19ClN4O3
Molecular Weight290.75 g/mol
Exact Mass290.11
IUPAC NameN-(2-amino-2-ethylbutyl)-5-nitro-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1ccc([N+](=O)[O-])[nH]1.Cl
InChIInChI=1S/C11H18N4O3.ClH/c1-3-11(12,4-2)7-13-10(16)8-5-6-9(14-8)15(17)18;/h5-6,14H,3-4,7,12H2,1-2H3,(H,13,16);1H
InChIKeyNKCBFAHQLBMTFH-UHFFFAOYSA-N
XLogP1.59
TPSA114.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-2-methylbutyl)-5-nitro-1H-pyrrole-2-carboxamide
CID 65114715
N-(2-aminoethyl)-5-nitro-1H-pyrrole-2-carboxamide
CID 60964878
5-nitro-N-prop-2-ynyl-1H-pyrrole-2-carboxamide
CID 61068795
N-[2-(ethylamino)ethyl]-5-nitro-1H-pyrrole-2-carboxamide
CID 62658586
N-(2-amino-2-ethylbutyl)-5-fluoro-2-nitrobenzamide;hydrochloride
CID 119642420
N-[1-bromo-2-(bromomethyl)butan-2-yl]-5-nitro-1H-pyrrole-2-carboxamide
CID 107867981
N-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide;hydrochloride
CID 119642438
N-(4-hydroxybutyl)-5-nitro-1H-pyrrole-2-carboxamide
CID 106843499
N-(3-chlorobutyl)-5-nitro-1H-pyrrole-2-carboxamide
CID 114301740
4-amino-N-(2-amino-2-ethylbutyl)-3-nitrobenzamide;hydrochloride
CID 119643503
N-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide
CID 81484734
N-(6-bromohexyl)-5-nitro-1H-pyrrole-2-carboxamide
CID 107847468

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-5-nitro-1H-pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-5-nitro-1H-pyrrole-2-carboxamide;hydrochloride (CID 119641038) is N-(2-amino-2-ethylbutyl)-5-nitro-1H-pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-5-nitro-1H-pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-5-nitro-1H-pyrrole-2-carboxamide;hydrochloride is CCC(N)(CC)CNC(=O)c1ccc([N+](=O)[O-])[nH]1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-5-nitro-1H-pyrrole-2-carboxamide;hydrochloride?
The InChIKey is NKCBFAHQLBMTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3.ClH/c1-3-11(12,4-2)7-13-10(16)8-5-6-9(14-8)15(17)18;/h5-6,14H,3-4,7,12H2,1-2H3,(H,13,16);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-5-nitro-1H-pyrrole-2-carboxamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-5-nitro-1H-pyrrole-2-carboxamide;hydrochloride has a molecular weight of 290.75 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-5-nitro-1H-pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119641038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).