1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidine-2-carboxamide

C11H15N5O3 — CID 80765479

IUPAC1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidine-2-carboxamide
SMILESCNc1ccc([N+](=O)[O-])c(N2CCCC2C(N)=O)n1
InChIInChI=1S/C11H15N5O3/c1-13-9-5-4-8(16(18)19)11(14-9)15-6-2-3-7(15)10(12)17/h4-5,7H,2-3,6H2,1H3,(H2,12,17)(H,13,14)
InChIKeyIXIRHPQJRPULAG-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.49
Rot. Bonds4

About 1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidine-2-carboxamide

1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidine-2-carboxamide (PubChem CID 80765479) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidine-2-carboxamide
PubChem CID80765479
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidine-2-carboxamide
SMILESCNc1ccc([N+](=O)[O-])c(N2CCCC2C(N)=O)n1
InChIInChI=1S/C11H15N5O3/c1-13-9-5-4-8(16(18)19)11(14-9)15-6-2-3-7(15)10(12)17/h4-5,7H,2-3,6H2,1H3,(H2,12,17)(H,13,14)
InChIKeyIXIRHPQJRPULAG-UHFFFAOYSA-N
XLogP0.49
TPSA114.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.49
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

N-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyridin-2-amine
CID 80790379
1-(6-hydrazinyl-3-nitro-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide
CID 80905319
methyl 6-(2-carbamoylpyrrolidin-1-yl)-5-nitropyridine-2-carboxylate
CID 114403552
[1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 80794786
1-(2-hydrazinyl-5-nitropyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 114045123
[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-nitro-2-pyridinyl]hydrazine
CID 102729208
6-(4-cyclopropylpiperazin-1-yl)-N-methyl-5-nitropyridin-2-amine
CID 80779221
N-methyl-5-nitro-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine
CID 80829989
N-methyl-5-nitro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridin-2-amine
CID 80851114
1-(6-hydrazinyl-3-nitro-2-pyridinyl)-N-methylpiperidine-3-carboxamide
CID 103198724
2-[1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 114802883
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methyl-5-nitropyridin-2-amine
CID 80836942

Frequently Asked Questions

What is the IUPAC name of 1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidine-2-carboxamide (CID 80765479) is 1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidine-2-carboxamide is CNc1ccc([N+](=O)[O-])c(N2CCCC2C(N)=O)n1.
What is the InChIKey of 1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidine-2-carboxamide?
The InChIKey is IXIRHPQJRPULAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-13-9-5-4-8(16(18)19)11(14-9)15-6-2-3-7(15)10(12)17/h4-5,7H,2-3,6H2,1H3,(H2,12,17)(H,13,14).
What are the key properties of 1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidine-2-carboxamide?
1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidine-2-carboxamide has a molecular weight of 265.27 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 80765479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).