4-cyano-1-methyl-N-(6-methyl-5-nitro-2-pyridinyl)pyrrole-2-carboxamide

C13H11N5O3 — CID 71917363

IUPAC4-cyano-1-methyl-N-(6-methyl-5-nitro-2-pyridinyl)pyrrole-2-carboxamide
SMILESCc1nc(NC(=O)c2cc(C#N)cn2C)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H11N5O3/c1-8-10(18(20)21)3-4-12(15-8)16-13(19)11-5-9(6-14)7-17(11)2/h3-5,7H,1-2H3,(H,15,16,19)
InChIKeyRWRLILRXKWBHCV-UHFFFAOYSA-N
MW285.26 g/mol
LogP1.76
Rot. Bonds3

About 4-cyano-1-methyl-N-(6-methyl-5-nitro-2-pyridinyl)pyrrole-2-carboxamide

4-cyano-1-methyl-N-(6-methyl-5-nitro-2-pyridinyl)pyrrole-2-carboxamide (PubChem CID 71917363) has the molecular formula C13H11N5O3 and a molecular weight of 285.26 g/mol. Its IUPAC name is 4-cyano-1-methyl-N-(6-methyl-5-nitro-2-pyridinyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-cyano-1-methyl-N-(6-methyl-5-nitro-2-pyridinyl)pyrrole-2-carboxamide
PubChem CID71917363
Molecular FormulaC13H11N5O3
Molecular Weight285.26 g/mol
Exact Mass285.09
IUPAC Name4-cyano-1-methyl-N-(6-methyl-5-nitro-2-pyridinyl)pyrrole-2-carboxamide
SMILESCc1nc(NC(=O)c2cc(C#N)cn2C)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H11N5O3/c1-8-10(18(20)21)3-4-12(15-8)16-13(19)11-5-9(6-14)7-17(11)2/h3-5,7H,1-2H3,(H,15,16,19)
InChIKeyRWRLILRXKWBHCV-UHFFFAOYSA-N
XLogP1.76
TPSA113.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

5-bromo-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-2-carboxamide
CID 75513075
2-methoxy-N-(6-methyl-5-nitro-2-pyridinyl)acetamide
CID 67266270
3-fluoro-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-4-carboxamide
CID 71849348
3-[(1,3-dimethylpyrazol-4-yl)amino]-4-nitrobenzonitrile
CID 104858232
N-(6-chloro-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide
CID 115683304
N-(5-bromo-6-methyl-2-pyridinyl)-1-methyl-5-nitropyrrole-2-carboxamide
CID 79048284
N-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide
CID 60699295
6-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyridin-2-amine
CID 80718381
4-cyano-N-[3-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 111928560
4-cyano-N-[4-(2-hydroxyethoxy)phenyl]-1-methylpyrrole-2-carboxamide
CID 111928569
4-bromo-1-methyl-N-(4-methyl-3-nitrophenyl)pyrrole-2-carboxamide
CID 43411085
N-(3-cyanophenyl)-5-methyl-2-nitrobenzamide
CID 65461418

Frequently Asked Questions

What is the IUPAC name of 4-cyano-1-methyl-N-(6-methyl-5-nitro-2-pyridinyl)pyrrole-2-carboxamide?
The IUPAC name of 4-cyano-1-methyl-N-(6-methyl-5-nitro-2-pyridinyl)pyrrole-2-carboxamide (CID 71917363) is 4-cyano-1-methyl-N-(6-methyl-5-nitro-2-pyridinyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-cyano-1-methyl-N-(6-methyl-5-nitro-2-pyridinyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-cyano-1-methyl-N-(6-methyl-5-nitro-2-pyridinyl)pyrrole-2-carboxamide is Cc1nc(NC(=O)c2cc(C#N)cn2C)ccc1[N+](=O)[O-].
What is the InChIKey of 4-cyano-1-methyl-N-(6-methyl-5-nitro-2-pyridinyl)pyrrole-2-carboxamide?
The InChIKey is RWRLILRXKWBHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O3/c1-8-10(18(20)21)3-4-12(15-8)16-13(19)11-5-9(6-14)7-17(11)2/h3-5,7H,1-2H3,(H,15,16,19).
What are the key properties of 4-cyano-1-methyl-N-(6-methyl-5-nitro-2-pyridinyl)pyrrole-2-carboxamide?
4-cyano-1-methyl-N-(6-methyl-5-nitro-2-pyridinyl)pyrrole-2-carboxamide has a molecular weight of 285.26 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-1-methyl-N-(6-methyl-5-nitro-2-pyridinyl)pyrrole-2-carboxamide is sourced from PubChem (CID 71917363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).