1-cyclopropyl-N-(6-fluoro-2-pyridinyl)-4-nitropyrrole-2-carboxamide

C13H11FN4O3 — CID 104820938

IUPAC1-cyclopropyl-N-(6-fluoro-2-pyridinyl)-4-nitropyrrole-2-carboxamide
SMILESO=C(Nc1cccc(F)n1)c1cc([N+](=O)[O-])cn1C1CC1
InChIInChI=1S/C13H11FN4O3/c14-11-2-1-3-12(15-11)16-13(19)10-6-9(18(20)21)7-17(10)8-4-5-8/h1-3,6-8H,4-5H2,(H,15,16,19)
InChIKeyWHSVMKNHIWURBX-UHFFFAOYSA-N
MW290.25 g/mol
LogP2.52
Rot. Bonds4

About 1-cyclopropyl-N-(6-fluoro-2-pyridinyl)-4-nitropyrrole-2-carboxamide

1-cyclopropyl-N-(6-fluoro-2-pyridinyl)-4-nitropyrrole-2-carboxamide (PubChem CID 104820938) has the molecular formula C13H11FN4O3 and a molecular weight of 290.25 g/mol. Its IUPAC name is 1-cyclopropyl-N-(6-fluoro-2-pyridinyl)-4-nitropyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(6-fluoro-2-pyridinyl)-4-nitropyrrole-2-carboxamide
PubChem CID104820938
Molecular FormulaC13H11FN4O3
Molecular Weight290.25 g/mol
Exact Mass290.08
IUPAC Name1-cyclopropyl-N-(6-fluoro-2-pyridinyl)-4-nitropyrrole-2-carboxamide
SMILESO=C(Nc1cccc(F)n1)c1cc([N+](=O)[O-])cn1C1CC1
InChIInChI=1S/C13H11FN4O3/c14-11-2-1-3-12(15-11)16-13(19)10-6-9(18(20)21)7-17(10)8-4-5-8/h1-3,6-8H,4-5H2,(H,15,16,19)
InChIKeyWHSVMKNHIWURBX-UHFFFAOYSA-N
XLogP2.52
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(azetidin-3-yl)-1-cyclopropyl-4-nitropyrrole-2-carboxamide
CID 66185142
1-cyclopropyl-N-[3-(ethylamino)propyl]-4-nitropyrrole-2-carboxamide
CID 43640525
N-(6-chloro-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide
CID 115683304
1-cyclopropyl-N-(2,3-dihydroxypropyl)-4-nitropyrrole-2-carboxamide
CID 66176627
1-cyclopropyl-4-nitro-N-(1H-pyrrol-3-ylmethyl)pyrrole-2-carboxamide
CID 106385903
N-(6-bromo-2-pyridinyl)-4-nitro-1-propan-2-ylpyrrole-2-carboxamide
CID 43640235
4-fluoro-N-(6-fluoro-2-pyridinyl)-2-nitrobenzamide
CID 104820949
1-cyclopropyl-N-[(2S)-1-hydroxybutan-2-yl]-4-nitropyrrole-2-carboxamide
CID 104981753
1-cyclopropyl-N-(4-methylpiperidin-4-yl)-4-nitropyrrole-2-carboxamide
CID 114696474
1-cyclopropyl-4-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 104971817
N-(6-fluoro-2-pyridinyl)-3-methylimidazole-4-carboxamide
CID 103512446
1-cyclopropyl-4-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide
CID 106282098

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(6-fluoro-2-pyridinyl)-4-nitropyrrole-2-carboxamide?
The IUPAC name of 1-cyclopropyl-N-(6-fluoro-2-pyridinyl)-4-nitropyrrole-2-carboxamide (CID 104820938) is 1-cyclopropyl-N-(6-fluoro-2-pyridinyl)-4-nitropyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-(6-fluoro-2-pyridinyl)-4-nitropyrrole-2-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-(6-fluoro-2-pyridinyl)-4-nitropyrrole-2-carboxamide is O=C(Nc1cccc(F)n1)c1cc([N+](=O)[O-])cn1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(6-fluoro-2-pyridinyl)-4-nitropyrrole-2-carboxamide?
The InChIKey is WHSVMKNHIWURBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O3/c14-11-2-1-3-12(15-11)16-13(19)10-6-9(18(20)21)7-17(10)8-4-5-8/h1-3,6-8H,4-5H2,(H,15,16,19).
What are the key properties of 1-cyclopropyl-N-(6-fluoro-2-pyridinyl)-4-nitropyrrole-2-carboxamide?
1-cyclopropyl-N-(6-fluoro-2-pyridinyl)-4-nitropyrrole-2-carboxamide has a molecular weight of 290.25 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(6-fluoro-2-pyridinyl)-4-nitropyrrole-2-carboxamide is sourced from PubChem (CID 104820938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).