2-methyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]-3-nitropyridine

C15H23N3O2 — CID 133377010

IUPAC2-methyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]-3-nitropyridine
SMILESCc1nc(N2CCCC2CCC(C)C)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H23N3O2/c1-11(2)6-7-13-5-4-10-17(13)15-9-8-14(18(19)20)12(3)16-15/h8-9,11,13H,4-7,10H2,1-3H3
InChIKeyCOYPHGMCXQCCKB-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.70
Rot. Bonds5

About 2-methyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]-3-nitropyridine

2-methyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]-3-nitropyridine (PubChem CID 133377010) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-methyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]-3-nitropyridine.

Molecular Properties

Compound Name2-methyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]-3-nitropyridine
PubChem CID133377010
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-methyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]-3-nitropyridine
SMILESCc1nc(N2CCCC2CCC(C)C)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H23N3O2/c1-11(2)6-7-13-5-4-10-17(13)15-9-8-14(18(19)20)12(3)16-15/h8-9,11,13H,4-7,10H2,1-3H3
InChIKeyCOYPHGMCXQCCKB-UHFFFAOYSA-N
XLogP3.70
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4-[[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-yl]methyl]morpholine
CID 99714262
N-[2-[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 125131310
[1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methylurea
CID 75482703
[4-methyl-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine
CID 103442243
2-[(2R)-2-(3-methylbutyl)piperidin-1-yl]-3-nitropyridine
CID 97014461
[3-methyl-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 102787157
2-methyl-4-[(2S)-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-yl]-1,3-thiazole
CID 125138200
methyl 1-(6-methyl-5-nitro-2-pyridinyl)piperidine-3-carboxylate
CID 80711750
6-(2-ethylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile
CID 133499900
N-ethyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 133377027
3-[1-(5-methyl-4-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol
CID 83271926
N-methyl-2-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanamine
CID 81136054

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]-3-nitropyridine?
The IUPAC name of 2-methyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]-3-nitropyridine (CID 133377010) is 2-methyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]-3-nitropyridine.
What is the SMILES notation for 2-methyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]-3-nitropyridine?
The canonical SMILES for 2-methyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]-3-nitropyridine is Cc1nc(N2CCCC2CCC(C)C)ccc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]-3-nitropyridine?
The InChIKey is COYPHGMCXQCCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(2)6-7-13-5-4-10-17(13)15-9-8-14(18(19)20)12(3)16-15/h8-9,11,13H,4-7,10H2,1-3H3.
What are the key properties of 2-methyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]-3-nitropyridine?
2-methyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]-3-nitropyridine has a molecular weight of 277.37 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]-3-nitropyridine is sourced from PubChem (CID 133377010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).