N-ethyl-3-methyl-5-nitro-N-pyrrolidin-3-ylpyridin-2-amine

C12H18N4O2 — CID 63300013

IUPACN-ethyl-3-methyl-5-nitro-N-pyrrolidin-3-ylpyridin-2-amine
SMILESCCN(c1ncc([N+](=O)[O-])cc1C)C1CCNC1
InChIInChI=1S/C12H18N4O2/c1-3-15(10-4-5-13-7-10)12-9(2)6-11(8-14-12)16(17)18/h6,8,10,13H,3-5,7H2,1-2H3
InChIKeyKURNHLOYYSKSHB-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.49
Rot. Bonds4

About N-ethyl-3-methyl-5-nitro-N-pyrrolidin-3-ylpyridin-2-amine

N-ethyl-3-methyl-5-nitro-N-pyrrolidin-3-ylpyridin-2-amine (PubChem CID 63300013) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-ethyl-3-methyl-5-nitro-N-pyrrolidin-3-ylpyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-5-nitro-N-pyrrolidin-3-ylpyridin-2-amine
PubChem CID63300013
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-ethyl-3-methyl-5-nitro-N-pyrrolidin-3-ylpyridin-2-amine
SMILESCCN(c1ncc([N+](=O)[O-])cc1C)C1CCNC1
InChIInChI=1S/C12H18N4O2/c1-3-15(10-4-5-13-7-10)12-9(2)6-11(8-14-12)16(17)18/h6,8,10,13H,3-5,7H2,1-2H3
InChIKeyKURNHLOYYSKSHB-UHFFFAOYSA-N
XLogP1.49
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.49
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

2-[ethyl(piperidin-3-yl)amino]-5-nitropyridine-3-carbonitrile
CID 63637867
N-ethyl-5-nitro-N-piperidin-3-ylpyrimidin-2-amine
CID 63638105
3-bromo-N-ethyl-4-methyl-5-nitro-N-piperidin-3-ylpyridin-2-amine
CID 104508226
2-[cyclobutyl-(3-methyl-5-nitro-2-pyridinyl)amino]ethanol
CID 102869000
5-bromo-N-ethyl-3-nitro-N-piperidin-3-ylpyridin-2-amine
CID 63638104
5-nitro-2-[piperidin-3-yl(propyl)amino]pyridine-3-carbonitrile
CID 63636490
N-ethyl-N-(2-methyl-6-nitrophenyl)pyrrolidin-3-amine
CID 115553862
N-ethyl-N-(3-fluoro-5-nitrophenyl)pyrrolidin-3-amine
CID 55205151
4-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 79175870
3-bromo-N-ethyl-5-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 79719389
N,2-dimethyl-5-nitro-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 119553240
4-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 63304533

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-5-nitro-N-pyrrolidin-3-ylpyridin-2-amine?
The IUPAC name of N-ethyl-3-methyl-5-nitro-N-pyrrolidin-3-ylpyridin-2-amine (CID 63300013) is N-ethyl-3-methyl-5-nitro-N-pyrrolidin-3-ylpyridin-2-amine.
What is the SMILES notation for N-ethyl-3-methyl-5-nitro-N-pyrrolidin-3-ylpyridin-2-amine?
The canonical SMILES for N-ethyl-3-methyl-5-nitro-N-pyrrolidin-3-ylpyridin-2-amine is CCN(c1ncc([N+](=O)[O-])cc1C)C1CCNC1.
What is the InChIKey of N-ethyl-3-methyl-5-nitro-N-pyrrolidin-3-ylpyridin-2-amine?
The InChIKey is KURNHLOYYSKSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-3-15(10-4-5-13-7-10)12-9(2)6-11(8-14-12)16(17)18/h6,8,10,13H,3-5,7H2,1-2H3.
What are the key properties of N-ethyl-3-methyl-5-nitro-N-pyrrolidin-3-ylpyridin-2-amine?
N-ethyl-3-methyl-5-nitro-N-pyrrolidin-3-ylpyridin-2-amine has a molecular weight of 250.30 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-5-nitro-N-pyrrolidin-3-ylpyridin-2-amine is sourced from PubChem (CID 63300013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).