[1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-yl]methanamine

C11H16N4O2 — CID 79177007

IUPAC[1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-yl]methanamine
SMILESCc1cc(N2CCC(CN)C2)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O2/c1-8-4-11(13-6-10(8)15(16)17)14-3-2-9(5-12)7-14/h4,6,9H,2-3,5,7,12H2,1H3
InChIKeyQBFSOLMLHYKIQW-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.08
Rot. Bonds3

About [1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-yl]methanamine

[1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-yl]methanamine (PubChem CID 79177007) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is [1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-yl]methanamine
PubChem CID79177007
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name[1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-yl]methanamine
SMILESCc1cc(N2CCC(CN)C2)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O2/c1-8-4-11(13-6-10(8)15(16)17)14-3-2-9(5-12)7-14/h4,6,9H,2-3,5,7,12H2,1H3
InChIKeyQBFSOLMLHYKIQW-UHFFFAOYSA-N
XLogP1.08
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
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-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol
CID 79176830
1-[1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanamine
CID 103976623
1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 79173009
(3R)-N-ethyl-N-methyl-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-amine
CID 99791620
[4-ethyl-1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine
CID 103353516
4-(aminomethyl)-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-one
CID 168659758
1-(4-methyl-5-nitro-2-pyridinyl)piperidine-3-carboxylic acid
CID 79174111
[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-4-yl] carbamate
CID 155355830
[1-(4-fluoro-5-methyl-2-nitrophenyl)pyrrolidin-3-yl]methanamine
CID 103594143
[1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]methanamine
CID 106749784
7-(4-methyl-5-nitro-2-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 59316236
3-[methyl-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-4-yl]amino]propan-1-ol
CID 133339668

Frequently Asked Questions

What is the IUPAC name of [1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-yl]methanamine (CID 79177007) is [1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-yl]methanamine is Cc1cc(N2CCC(CN)C2)ncc1[N+](=O)[O-].
What is the InChIKey of [1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-yl]methanamine?
The InChIKey is QBFSOLMLHYKIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-8-4-11(13-6-10(8)15(16)17)14-3-2-9(5-12)7-14/h4,6,9H,2-3,5,7,12H2,1H3.
What are the key properties of [1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-yl]methanamine?
[1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-yl]methanamine has a molecular weight of 236.27 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 79177007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).