3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-nitropyridin-2-amine

C14H22N4O2 — CID 115886021

IUPAC3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-nitropyridin-2-amine
SMILESCc1cc([N+](=O)[O-])cnc1NCCC1CCN(C)CC1
InChIInChI=1S/C14H22N4O2/c1-11-9-13(18(19)20)10-16-14(11)15-6-3-12-4-7-17(2)8-5-12/h9-10,12H,3-8H2,1-2H3,(H,15,16)
InChIKeyXGOYJLLTRSIYFL-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.44
Rot. Bonds5

About 3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-nitropyridin-2-amine

3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-nitropyridin-2-amine (PubChem CID 115886021) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-nitropyridin-2-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-nitropyridin-2-amine
PubChem CID115886021
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-nitropyridin-2-amine
SMILESCc1cc([N+](=O)[O-])cnc1NCCC1CCN(C)CC1
InChIInChI=1S/C14H22N4O2/c1-11-9-13(18(19)20)10-16-14(11)15-6-3-12-4-7-17(2)8-5-12/h9-10,12H,3-8H2,1-2H3,(H,15,16)
InChIKeyXGOYJLLTRSIYFL-UHFFFAOYSA-N
XLogP2.44
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.44
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

2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-nitroaniline
CID 114516044
3-methyl-5-nitro-N-(2-pyrrolidin-2-ylethyl)pyridin-2-amine
CID 114794444
N-cycloheptyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306690
6-[2-(1-methylpiperidin-4-yl)ethylamino]-5-nitropyridine-3-carbonitrile
CID 103472122
3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-5-nitropyridin-2-amine
CID 62476863
3-methyl-5-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 55174948
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-nitropyridin-2-amine
CID 115599538
6-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-nitropyrimidin-4-amine
CID 114516456
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-nitroaniline
CID 114516123
3-methyl-N-(3-methylbutyl)-5-nitropyridin-2-amine
CID 62477027
N-(3-methoxypropyl)-3-methyl-5-nitropyridin-2-amine
CID 62477722
1-cyclopropyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115301466

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-nitropyridin-2-amine?
The IUPAC name of 3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-nitropyridin-2-amine (CID 115886021) is 3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-nitropyridin-2-amine.
What is the SMILES notation for 3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-nitropyridin-2-amine?
The canonical SMILES for 3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-nitropyridin-2-amine is Cc1cc([N+](=O)[O-])cnc1NCCC1CCN(C)CC1.
What is the InChIKey of 3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-nitropyridin-2-amine?
The InChIKey is XGOYJLLTRSIYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11-9-13(18(19)20)10-16-14(11)15-6-3-12-4-7-17(2)8-5-12/h9-10,12H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-nitropyridin-2-amine?
3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-nitropyridin-2-amine has a molecular weight of 278.36 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-nitropyridin-2-amine is sourced from PubChem (CID 115886021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).