(3R)-N-ethyl-N-methyl-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-amine

C13H20N4O2 — CID 99791620

IUPAC(3R)-N-ethyl-N-methyl-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-amine
SMILESCCN(C)[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])cn2)C1
InChIInChI=1S/C13H20N4O2/c1-4-15(3)11-5-6-16(9-11)13-7-10(2)12(8-14-13)17(18)19/h7-8,11H,4-6,9H2,1-3H3/t11-/m1/s1
InChIKeyPGMYIYHCSSJRGB-LLVKDONJSA-N
MW264.33 g/mol
LogP1.83
Rot. Bonds4

About (3R)-N-ethyl-N-methyl-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-amine

(3R)-N-ethyl-N-methyl-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-amine (PubChem CID 99791620) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is (3R)-N-ethyl-N-methyl-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N-ethyl-N-methyl-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-amine
PubChem CID99791620
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name(3R)-N-ethyl-N-methyl-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-amine
SMILESCCN(C)[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])cn2)C1
InChIInChI=1S/C13H20N4O2/c1-4-15(3)11-5-6-16(9-11)13-7-10(2)12(8-14-13)17(18)19/h7-8,11H,4-6,9H2,1-3H3/t11-/m1/s1
InChIKeyPGMYIYHCSSJRGB-LLVKDONJSA-N
XLogP1.83
TPSA62.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.83
H-Bond Donors ≤ 50
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-[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
3-[methyl-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-4-yl]amino]propan-1-ol
CID 133339668
[1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-yl]methanamine
CID 79177007
1-(4-methyl-5-nitro-2-pyridinyl)piperidine-3-carboxylic acid
CID 79174111
[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol
CID 79176830
N,N-dimethyl-1-[6-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]methanamine
CID 133329565
1-ethylsulfonyl-4-(4-methyl-5-nitro-2-pyridinyl)piperazine
CID 133343061
(4-chlorophenyl)-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-4-yl]methanol
CID 133339156
7-(4-methyl-5-nitro-2-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 59316236
[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-4-yl] carbamate
CID 155355830
2-(furan-2-yl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine
CID 133347026

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-N-methyl-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-amine?
The IUPAC name of (3R)-N-ethyl-N-methyl-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-amine (CID 99791620) is (3R)-N-ethyl-N-methyl-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-N-ethyl-N-methyl-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-N-ethyl-N-methyl-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-amine is CCN(C)[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])cn2)C1.
What is the InChIKey of (3R)-N-ethyl-N-methyl-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-amine?
The InChIKey is PGMYIYHCSSJRGB-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-4-15(3)11-5-6-16(9-11)13-7-10(2)12(8-14-13)17(18)19/h7-8,11H,4-6,9H2,1-3H3/t11-/m1/s1.
What are the key properties of (3R)-N-ethyl-N-methyl-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-amine?
(3R)-N-ethyl-N-methyl-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-amine has a molecular weight of 264.33 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-N-methyl-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-amine is sourced from PubChem (CID 99791620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).