5-methyl-3-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine

C12H17N3O3 — CID 66278945

IUPAC5-methyl-3-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
SMILESCc1cnc(NCCC2CCCO2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H17N3O3/c1-9-7-11(15(16)17)12(14-8-9)13-5-4-10-3-2-6-18-10/h7-8,10H,2-6H2,1H3,(H,13,14)
InChIKeyZCJRISVVRFBOCX-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.28
Rot. Bonds5

About 5-methyl-3-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine

5-methyl-3-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine (PubChem CID 66278945) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-methyl-3-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-methyl-3-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
PubChem CID66278945
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name5-methyl-3-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
SMILESCc1cnc(NCCC2CCCO2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H17N3O3/c1-9-7-11(15(16)17)12(14-8-9)13-5-4-10-3-2-6-18-10/h7-8,10H,2-6H2,1H3,(H,13,14)
InChIKeyZCJRISVVRFBOCX-UHFFFAOYSA-N
XLogP2.28
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.28
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

5-nitro-6-[2-(oxolan-2-yl)ethylamino]pyridine-3-carboxylic acid
CID 81438043
4-methyl-2-nitro-N-[2-(oxolan-2-yl)ethyl]aniline
CID 54916885
N-cyclopropyl-N'-(5-methyl-3-nitro-2-pyridinyl)propane-1,3-diamine
CID 66278299
6-methyl-5-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 80718009
6-N-ethyl-5-nitro-4-N-[2-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80812756
5-methyl-2-nitro-N-[2-(oxan-2-yl)ethyl]aniline
CID 103990775
2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 65439508
5-methyl-N-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine
CID 63208180
4-methyl-5-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 79173840
5-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 66280499
N-[2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethyl]acetamide
CID 66281352
4-[(5-methyl-3-nitro-2-pyridinyl)amino]butan-2-ol
CID 66281150

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine?
The IUPAC name of 5-methyl-3-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine (CID 66278945) is 5-methyl-3-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-methyl-3-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-methyl-3-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine is Cc1cnc(NCCC2CCCO2)c([N+](=O)[O-])c1.
What is the InChIKey of 5-methyl-3-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine?
The InChIKey is ZCJRISVVRFBOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-9-7-11(15(16)17)12(14-8-9)13-5-4-10-3-2-6-18-10/h7-8,10H,2-6H2,1H3,(H,13,14).
What are the key properties of 5-methyl-3-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine?
5-methyl-3-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine has a molecular weight of 251.29 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 66278945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).