5-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine

C11H16N4O2 — CID 66280499

IUPAC5-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
SMILESCc1cnc(NCC2CCCN2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H16N4O2/c1-8-5-10(15(16)17)11(13-6-8)14-7-9-3-2-4-12-9/h5-6,9,12H,2-4,7H2,1H3,(H,13,14)
InChIKeySLUVACHUYXEXCW-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.46
Rot. Bonds4

About 5-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine

5-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine (PubChem CID 66280499) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
PubChem CID66280499
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name5-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
SMILESCc1cnc(NCC2CCCN2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H16N4O2/c1-8-5-10(15(16)17)11(13-6-8)14-7-9-3-2-4-12-9/h5-6,9,12H,2-4,7H2,1H3,(H,13,14)
InChIKeySLUVACHUYXEXCW-UHFFFAOYSA-N
XLogP1.46
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.46
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

5-bromo-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 62542196
5-[[(5-methyl-3-nitro-2-pyridinyl)amino]methyl]pyrrolidin-2-one
CID 66279832
N-ethyl-5-methyl-3-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 106641900
N-cyclopropyl-5-methyl-3-nitropyridin-2-amine
CID 46738807
N-cyclopropyl-N'-(5-methyl-3-nitro-2-pyridinyl)propane-1,3-diamine
CID 66278299
5-methyl-3-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 66278945
3-methyl-5-nitro-N-(pyrrolidin-2-ylmethyl)aniline
CID 112649442
2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 65439508
4-methyl-2-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]aniline
CID 104972924
3-methyl-5-nitro-N-(2-pyrrolidin-2-ylethyl)pyridin-2-amine
CID 114794444
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-methyl-3-nitropyridin-2-amine
CID 79035479
5-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-nitropyridin-2-amine
CID 102913909

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine (CID 66280499) is 5-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine is Cc1cnc(NCC2CCCN2)c([N+](=O)[O-])c1.
What is the InChIKey of 5-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The InChIKey is SLUVACHUYXEXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-8-5-10(15(16)17)11(13-6-8)14-7-9-3-2-4-12-9/h5-6,9,12H,2-4,7H2,1H3,(H,13,14).
What are the key properties of 5-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
5-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine has a molecular weight of 236.27 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 66280499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).