4-methyl-5-nitro-N-(2-piperidin-3-ylethyl)pyridin-2-amine

C13H20N4O2 — CID 79176343

IUPAC4-methyl-5-nitro-N-(2-piperidin-3-ylethyl)pyridin-2-amine
SMILESCc1cc(NCCC2CCCNC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O2/c1-10-7-13(16-9-12(10)17(18)19)15-6-4-11-3-2-5-14-8-11/h7,9,11,14H,2-6,8H2,1H3,(H,15,16)
InChIKeySNOPJDSENDMBEQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.10
Rot. Bonds5

About 4-methyl-5-nitro-N-(2-piperidin-3-ylethyl)pyridin-2-amine

4-methyl-5-nitro-N-(2-piperidin-3-ylethyl)pyridin-2-amine (PubChem CID 79176343) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-methyl-5-nitro-N-(2-piperidin-3-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-5-nitro-N-(2-piperidin-3-ylethyl)pyridin-2-amine
PubChem CID79176343
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name4-methyl-5-nitro-N-(2-piperidin-3-ylethyl)pyridin-2-amine
SMILESCc1cc(NCCC2CCCNC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O2/c1-10-7-13(16-9-12(10)17(18)19)15-6-4-11-3-2-5-14-8-11/h7,9,11,14H,2-6,8H2,1H3,(H,15,16)
InChIKeySNOPJDSENDMBEQ-UHFFFAOYSA-N
XLogP2.10
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
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

3-methyl-4-nitro-N-(2-piperidin-3-ylethyl)aniline
CID 55248226
4-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine
CID 79176653
4-methyl-5-nitro-2-(piperidin-3-ylmethoxy)pyridine
CID 79176367
N-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methyl-5-nitropyridin-2-amine
CID 133340478
2-methyl-4-nitro-N-(2-piperidin-3-ylethyl)aniline
CID 55248421
4-methyl-N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine
CID 115324081
4-methyl-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 63629904
N-cyclopropyl-4-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 106643758
2-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 79176232
2-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 79176047
5-bromo-2-nitro-N-(2-piperidin-3-ylethyl)aniline
CID 65343623
4-methyl-5-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 79176132

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-nitro-N-(2-piperidin-3-ylethyl)pyridin-2-amine?
The IUPAC name of 4-methyl-5-nitro-N-(2-piperidin-3-ylethyl)pyridin-2-amine (CID 79176343) is 4-methyl-5-nitro-N-(2-piperidin-3-ylethyl)pyridin-2-amine.
What is the SMILES notation for 4-methyl-5-nitro-N-(2-piperidin-3-ylethyl)pyridin-2-amine?
The canonical SMILES for 4-methyl-5-nitro-N-(2-piperidin-3-ylethyl)pyridin-2-amine is Cc1cc(NCCC2CCCNC2)ncc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-5-nitro-N-(2-piperidin-3-ylethyl)pyridin-2-amine?
The InChIKey is SNOPJDSENDMBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10-7-13(16-9-12(10)17(18)19)15-6-4-11-3-2-5-14-8-11/h7,9,11,14H,2-6,8H2,1H3,(H,15,16).
What are the key properties of 4-methyl-5-nitro-N-(2-piperidin-3-ylethyl)pyridin-2-amine?
4-methyl-5-nitro-N-(2-piperidin-3-ylethyl)pyridin-2-amine has a molecular weight of 264.33 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-nitro-N-(2-piperidin-3-ylethyl)pyridin-2-amine is sourced from PubChem (CID 79176343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).