1-methyl-5-nitro-N-(6-oxopiperidin-3-yl)pyrrole-2-carboxamide

C11H14N4O4 — CID 62896423

IUPAC1-methyl-5-nitro-N-(6-oxopiperidin-3-yl)pyrrole-2-carboxamide
SMILESCn1c(C(=O)NC2CCC(=O)NC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O4/c1-14-8(3-5-10(14)15(18)19)11(17)13-7-2-4-9(16)12-6-7/h3,5,7H,2,4,6H2,1H3,(H,12,16)(H,13,17)
InChIKeyGHCSJVXOQZRZII-UHFFFAOYSA-N
MW266.26 g/mol
LogP-0.06
Rot. Bonds3

About 1-methyl-5-nitro-N-(6-oxopiperidin-3-yl)pyrrole-2-carboxamide

1-methyl-5-nitro-N-(6-oxopiperidin-3-yl)pyrrole-2-carboxamide (PubChem CID 62896423) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is 1-methyl-5-nitro-N-(6-oxopiperidin-3-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-5-nitro-N-(6-oxopiperidin-3-yl)pyrrole-2-carboxamide
PubChem CID62896423
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name1-methyl-5-nitro-N-(6-oxopiperidin-3-yl)pyrrole-2-carboxamide
SMILESCn1c(C(=O)NC2CCC(=O)NC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O4/c1-14-8(3-5-10(14)15(18)19)11(17)13-7-2-4-9(16)12-6-7/h3,5,7H,2,4,6H2,1H3,(H,12,16)(H,13,17)
InChIKeyGHCSJVXOQZRZII-UHFFFAOYSA-N
XLogP-0.06
TPSA106.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1-methyl-N-(2-methylpiperidin-4-yl)-5-nitropyrrole-2-carboxamide;hydrochloride
CID 120600064
4-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 60617057
5-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 62896045
2-chloro-4-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 60616971
3-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 79832497
N-[2-(bromomethyl)cyclohexyl]-1-methyl-5-nitropyrrole-2-carboxamide
CID 106367377
3,6-dimethyl-2-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid
CID 103429074
N-(6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 62492175
2-methyl-N-[(3R)-6-oxopiperidin-3-yl]benzamide
CID 70955192
N-(6-oxopiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114609897
4-anilino-3-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 60616996
N-(6-oxopiperidin-3-yl)-1H-pyrrole-2-carboxamide
CID 62491246

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-nitro-N-(6-oxopiperidin-3-yl)pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-5-nitro-N-(6-oxopiperidin-3-yl)pyrrole-2-carboxamide (CID 62896423) is 1-methyl-5-nitro-N-(6-oxopiperidin-3-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-5-nitro-N-(6-oxopiperidin-3-yl)pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-5-nitro-N-(6-oxopiperidin-3-yl)pyrrole-2-carboxamide is Cn1c(C(=O)NC2CCC(=O)NC2)ccc1[N+](=O)[O-].
What is the InChIKey of 1-methyl-5-nitro-N-(6-oxopiperidin-3-yl)pyrrole-2-carboxamide?
The InChIKey is GHCSJVXOQZRZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c1-14-8(3-5-10(14)15(18)19)11(17)13-7-2-4-9(16)12-6-7/h3,5,7H,2,4,6H2,1H3,(H,12,16)(H,13,17).
What are the key properties of 1-methyl-5-nitro-N-(6-oxopiperidin-3-yl)pyrrole-2-carboxamide?
1-methyl-5-nitro-N-(6-oxopiperidin-3-yl)pyrrole-2-carboxamide has a molecular weight of 266.26 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-nitro-N-(6-oxopiperidin-3-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 62896423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).