4-methyl-5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine

C14H22N4O2 — CID 79173745

IUPAC4-methyl-5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
SMILESCc1cc(NCC(C)N2CCCCC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O2/c1-11-8-14(16-10-13(11)18(19)20)15-9-12(2)17-6-4-3-5-7-17/h8,10,12H,3-7,9H2,1-2H3,(H,15,16)
InChIKeyZXLQNLVJXYKHDM-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.58
Rot. Bonds5

About 4-methyl-5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine

4-methyl-5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine (PubChem CID 79173745) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-methyl-5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
PubChem CID79173745
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name4-methyl-5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
SMILESCc1cc(NCC(C)N2CCCCC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O2/c1-11-8-14(16-10-13(11)18(19)20)15-9-12(2)17-6-4-3-5-7-17/h8,10,12H,3-7,9H2,1-2H3,(H,15,16)
InChIKeyZXLQNLVJXYKHDM-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
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

4-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-5-nitropyridin-2-amine
CID 133343420
5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 54899460
4-methyl-N-(2-methylbutyl)-5-nitropyridin-2-amine
CID 79176219
5-methyl-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 79035165
4-methyl-3-nitro-N-(2-piperidin-1-ylpropyl)aniline
CID 62912812
5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-nitropyridin-2-amine
CID 83266893
5-methyl-3-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]hexanoic acid
CID 79165012
3-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 54899365
2-nitro-N-(2-piperidin-1-ylpropyl)aniline
CID 61018070
N-[(2S)-3-imidazol-1-yl-2-methylpropyl]-4-methyl-5-nitropyridin-2-amine
CID 124505464
6-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-3-amine
CID 78993003
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 103989953

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine?
The IUPAC name of 4-methyl-5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine (CID 79173745) is 4-methyl-5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine.
What is the SMILES notation for 4-methyl-5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine?
The canonical SMILES for 4-methyl-5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine is Cc1cc(NCC(C)N2CCCCC2)ncc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine?
The InChIKey is ZXLQNLVJXYKHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11-8-14(16-10-13(11)18(19)20)15-9-12(2)17-6-4-3-5-7-17/h8,10,12H,3-7,9H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine?
4-methyl-5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine has a molecular weight of 278.36 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine is sourced from PubChem (CID 79173745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).