5-nitro-N-[(3R)-piperidin-3-yl]-1H-pyrrole-2-carboxamide

C10H14N4O3 — CID 113436670

IUPAC5-nitro-N-[(3R)-piperidin-3-yl]-1H-pyrrole-2-carboxamide
SMILESO=C(N[C@@H]1CCCNC1)c1ccc([N+](=O)[O-])[nH]1
InChIInChI=1S/C10H14N4O3/c15-10(12-7-2-1-5-11-6-7)8-3-4-9(13-8)14(16)17/h3-4,7,11,13H,1-2,5-6H2,(H,12,15)/t7-/m1/s1
InChIKeyYMMQTRPSXQMBSE-SSDOTTSWSA-N
MW238.25 g/mol
LogP0.40
Rot. Bonds3

About 5-nitro-N-[(3R)-piperidin-3-yl]-1H-pyrrole-2-carboxamide

5-nitro-N-[(3R)-piperidin-3-yl]-1H-pyrrole-2-carboxamide (PubChem CID 113436670) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 5-nitro-N-[(3R)-piperidin-3-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-[(3R)-piperidin-3-yl]-1H-pyrrole-2-carboxamide
PubChem CID113436670
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name5-nitro-N-[(3R)-piperidin-3-yl]-1H-pyrrole-2-carboxamide
SMILESO=C(N[C@@H]1CCCNC1)c1ccc([N+](=O)[O-])[nH]1
InChIInChI=1S/C10H14N4O3/c15-10(12-7-2-1-5-11-6-7)8-3-4-9(13-8)14(16)17/h3-4,7,11,13H,1-2,5-6H2,(H,12,15)/t7-/m1/s1
InChIKeyYMMQTRPSXQMBSE-SSDOTTSWSA-N
XLogP0.40
TPSA100.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.40
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

7-nitro-N-[(3R)-piperidin-3-yl]-1H-indole-2-carboxamide
CID 44556283
3-methyl-4-nitro-N-[(3S)-piperidin-3-yl]benzamide
CID 103866634
N-[(3R)-piperidin-3-yl]-1H-pyrazole-5-carboxamide
CID 104645486
N-piperidin-3-ylbenzamide
CID 22017045
4-nitro-N-[(3R)-pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
CID 79689166
4-methoxy-3-nitro-N-[(3S)-piperidin-3-yl]benzamide
CID 103866718
5-chloro-4-nitro-N-piperidin-3-ylthiophene-2-carboxamide
CID 112530952
1-methyl-2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 82760434
2-nitro-N-piperidin-3-yl-4-(trifluoromethyl)benzamide;hydrochloride
CID 119428141
2-methyl-5-nitro-N-piperidin-3-ylpyridine-3-carboxamide
CID 119427651
2,6-dimethyl-N-piperidin-3-ylbenzamide
CID 114025985
4-amino-N-[(3S)-piperidin-3-yl]benzamide
CID 89225185

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[(3R)-piperidin-3-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-nitro-N-[(3R)-piperidin-3-yl]-1H-pyrrole-2-carboxamide (CID 113436670) is 5-nitro-N-[(3R)-piperidin-3-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-nitro-N-[(3R)-piperidin-3-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-nitro-N-[(3R)-piperidin-3-yl]-1H-pyrrole-2-carboxamide is O=C(N[C@@H]1CCCNC1)c1ccc([N+](=O)[O-])[nH]1.
What is the InChIKey of 5-nitro-N-[(3R)-piperidin-3-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is YMMQTRPSXQMBSE-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14N4O3/c15-10(12-7-2-1-5-11-6-7)8-3-4-9(13-8)14(16)17/h3-4,7,11,13H,1-2,5-6H2,(H,12,15)/t7-/m1/s1.
What are the key properties of 5-nitro-N-[(3R)-piperidin-3-yl]-1H-pyrrole-2-carboxamide?
5-nitro-N-[(3R)-piperidin-3-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 238.25 g/mol, XLogP of 0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[(3R)-piperidin-3-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 113436670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).