2-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-nitropyridine-3-carboxamide

C11H14N4O4 — CID 133344472

IUPAC2-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-nitropyridine-3-carboxamide
SMILESCC1(O)CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1
InChIInChI=1S/C11H14N4O4/c1-11(17)2-3-14(6-11)10-8(9(12)16)4-7(5-13-10)15(18)19/h4-5,17H,2-3,6H2,1H3,(H2,12,16)
InChIKeySVDUTBWJDDAXIM-UHFFFAOYSA-N
MW266.26 g/mol
LogP0.05
Rot. Bonds3

About 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-nitropyridine-3-carboxamide

2-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-nitropyridine-3-carboxamide (PubChem CID 133344472) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-nitropyridine-3-carboxamide
PubChem CID133344472
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name2-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-nitropyridine-3-carboxamide
SMILESCC1(O)CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1
InChIInChI=1S/C11H14N4O4/c1-11(17)2-3-14(6-11)10-8(9(12)16)4-7(5-13-10)15(18)19/h4-5,17H,2-3,6H2,1H3,(H2,12,16)
InChIKeySVDUTBWJDDAXIM-UHFFFAOYSA-N
XLogP0.05
TPSA122.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 50.05
H-Bond Donors ≤ 52
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

2-[(3S)-3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-5-nitropyridine-3-carboxamide
CID 95974485
2-[4-(2-methylpropyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133363039
1-(3-chloro-5-nitro-2-pyridinyl)-3-methylpiperidin-3-ol
CID 103878214
2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133280056
1-(3-carbamoyl-5-nitro-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79371889
1-(3-carbamoyl-5-nitro-2-pyridinyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102776402
5-nitro-2-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyridine-3-carboxamide
CID 133476732
2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-5-nitropyridine-3-carboxamide
CID 133344317
2-(2-methylpiperazin-1-yl)-5-nitropyridine-3-carboxamide
CID 55104538
2-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133349682
2-[4-(3-methoxyphenyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133279381
5-nitro-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 55239598

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-nitropyridine-3-carboxamide (CID 133344472) is 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-nitropyridine-3-carboxamide is CC1(O)CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1.
What is the InChIKey of 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-nitropyridine-3-carboxamide?
The InChIKey is SVDUTBWJDDAXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c1-11(17)2-3-14(6-11)10-8(9(12)16)4-7(5-13-10)15(18)19/h4-5,17H,2-3,6H2,1H3,(H2,12,16).
What are the key properties of 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-nitropyridine-3-carboxamide?
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-nitropyridine-3-carboxamide has a molecular weight of 266.26 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 133344472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).