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

C14H22N4O2 — CID 79173443

IUPAC4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-nitropyridin-2-amine
SMILESCc1cc(NCCN2CCC(C)CC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O2/c1-11-3-6-17(7-4-11)8-5-15-14-9-12(2)13(10-16-14)18(19)20/h9-11H,3-8H2,1-2H3,(H,15,16)
InChIKeyLGTBNXMKJCEWKA-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.44
Rot. Bonds5

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

4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-nitropyridin-2-amine (PubChem CID 79173443) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-nitropyridin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-nitropyridin-2-amine
PubChem CID79173443
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-nitropyridin-2-amine
SMILESCc1cc(NCCN2CCC(C)CC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O2/c1-11-3-6-17(7-4-11)8-5-15-14-9-12(2)13(10-16-14)18(19)20/h9-11H,3-8H2,1-2H3,(H,15,16)
InChIKeyLGTBNXMKJCEWKA-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

N-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methyl-5-nitropyridin-2-amine
CID 133340478
N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methyl-5-nitropyridin-2-amine
CID 133339472
5-methyl-4-nitro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 83268380
2-[4-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanol
CID 133329211
4-methyl-N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine
CID 79173434
2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-nitropyrimidin-4-amine
CID 106193947
4-fluoro-5-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-nitroaniline
CID 103591567
4-methyl-5-nitro-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridin-2-amine
CID 133486685
4-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitropyridin-2-amine
CID 115669034
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 103989953
1-(4-acetylpiperazin-1-yl)-3-[(4-methyl-5-nitro-2-pyridinyl)amino]propan-1-one
CID 133329825
N-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 133342954

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-nitropyridin-2-amine?
The IUPAC name of 4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-nitropyridin-2-amine (CID 79173443) is 4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-nitropyridin-2-amine.
What is the SMILES notation for 4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-nitropyridin-2-amine?
The canonical SMILES for 4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-nitropyridin-2-amine is Cc1cc(NCCN2CCC(C)CC2)ncc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-nitropyridin-2-amine?
The InChIKey is LGTBNXMKJCEWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11-3-6-17(7-4-11)8-5-15-14-9-12(2)13(10-16-14)18(19)20/h9-11H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-nitropyridin-2-amine?
4-methyl-N-[2-(4-methylpiperidin-1-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 4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-nitropyridin-2-amine is sourced from PubChem (CID 79173443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).