N-(2-methylpiperidin-4-yl)-4-nitro-1H-pyrrole-2-carboxamide;hydrochloride

C11H17ClN4O3 — CID 120598419

IUPACN-(2-methylpiperidin-4-yl)-4-nitro-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CCN1.Cl
InChIInChI=1S/C11H16N4O3.ClH/c1-7-4-8(2-3-12-7)14-11(16)10-5-9(6-13-10)15(17)18;/h5-8,12-13H,2-4H2,1H3,(H,14,16);1H
InChIKeyJQGBWQQGBOCWLP-UHFFFAOYSA-N
MW288.74 g/mol
LogP1.22
Rot. Bonds3

About N-(2-methylpiperidin-4-yl)-4-nitro-1H-pyrrole-2-carboxamide;hydrochloride

N-(2-methylpiperidin-4-yl)-4-nitro-1H-pyrrole-2-carboxamide;hydrochloride (PubChem CID 120598419) has the molecular formula C11H17ClN4O3 and a molecular weight of 288.74 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-4-nitro-1H-pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-4-nitro-1H-pyrrole-2-carboxamide;hydrochloride
PubChem CID120598419
Molecular FormulaC11H17ClN4O3
Molecular Weight288.74 g/mol
Exact Mass288.10
IUPAC NameN-(2-methylpiperidin-4-yl)-4-nitro-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CCN1.Cl
InChIInChI=1S/C11H16N4O3.ClH/c1-7-4-8(2-3-12-7)14-11(16)10-5-9(6-13-10)15(17)18;/h5-8,12-13H,2-4H2,1H3,(H,14,16);1H
InChIKeyJQGBWQQGBOCWLP-UHFFFAOYSA-N
XLogP1.22
TPSA100.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 51.22
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

4-nitro-N-[(3R)-pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
CID 79689166
4-chloro-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
CID 106995370
4-iodo-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
CID 120597856
3-methyl-N-(2-methylpiperidin-4-yl)-4-nitrobenzamide;hydrochloride
CID 120601410
N-(2-methylpiperidin-4-yl)-5-nitrofuran-2-carboxamide;hydrochloride
CID 120600819
N-(2-methylpiperidin-4-yl)-1-(3-nitrophenyl)pyrazole-3-carboxamide;hydrochloride
CID 120599281
N-(2-methylpiperidin-4-yl)-4-nitro-1-propylpyrrole-2-carboxamide
CID 106995308
N-(2-methylpiperidin-4-yl)-2-(3-nitrophenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120602389
1-methyl-N-(2-methylpiperidin-4-yl)-5-nitropyrrole-2-carboxamide;hydrochloride
CID 120600064
2-methyl-N-(2-methylpiperidin-4-yl)-3-nitrobenzamide;hydrochloride
CID 120602042
5-methoxy-N-(2-methylpiperidin-4-yl)-2-nitrobenzamide;hydrochloride
CID 120601078
N-(2-aminocyclopentyl)-4-nitro-1H-pyrrole-2-carboxamide
CID 63251739

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-4-nitro-1H-pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-4-yl)-4-nitro-1H-pyrrole-2-carboxamide;hydrochloride (CID 120598419) is N-(2-methylpiperidin-4-yl)-4-nitro-1H-pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-4-nitro-1H-pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-4-nitro-1H-pyrrole-2-carboxamide;hydrochloride is CC1CC(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CCN1.Cl.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-4-nitro-1H-pyrrole-2-carboxamide;hydrochloride?
The InChIKey is JQGBWQQGBOCWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3.ClH/c1-7-4-8(2-3-12-7)14-11(16)10-5-9(6-13-10)15(17)18;/h5-8,12-13H,2-4H2,1H3,(H,14,16);1H.
What are the key properties of N-(2-methylpiperidin-4-yl)-4-nitro-1H-pyrrole-2-carboxamide;hydrochloride?
N-(2-methylpiperidin-4-yl)-4-nitro-1H-pyrrole-2-carboxamide;hydrochloride has a molecular weight of 288.74 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-4-nitro-1H-pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 120598419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).