N-ethyl-3-nitro-N-piperidin-3-ylpyridin-4-amine

C12H18N4O2 — CID 63638439

IUPACN-ethyl-3-nitro-N-piperidin-3-ylpyridin-4-amine
SMILESCCN(c1ccncc1[N+](=O)[O-])C1CCCNC1
InChIInChI=1S/C12H18N4O2/c1-2-15(10-4-3-6-13-8-10)11-5-7-14-9-12(11)16(17)18/h5,7,9-10,13H,2-4,6,8H2,1H3
InChIKeyIACILDCWADMKOQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.57
Rot. Bonds4

About N-ethyl-3-nitro-N-piperidin-3-ylpyridin-4-amine

N-ethyl-3-nitro-N-piperidin-3-ylpyridin-4-amine (PubChem CID 63638439) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-ethyl-3-nitro-N-piperidin-3-ylpyridin-4-amine.

Molecular Properties

Compound NameN-ethyl-3-nitro-N-piperidin-3-ylpyridin-4-amine
PubChem CID63638439
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-ethyl-3-nitro-N-piperidin-3-ylpyridin-4-amine
SMILESCCN(c1ccncc1[N+](=O)[O-])C1CCCNC1
InChIInChI=1S/C12H18N4O2/c1-2-15(10-4-3-6-13-8-10)11-5-7-14-9-12(11)16(17)18/h5,7,9-10,13H,2-4,6,8H2,1H3
InChIKeyIACILDCWADMKOQ-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
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

(3-nitro-4-pyridinyl)-piperidin-3-ylcarbamic acid
CID 68631222
N-ethyl-N-(4-methyl-2-nitrophenyl)piperidin-3-amine
CID 63636312
N-ethyl-5-nitro-N-pyrrolidin-3-ylisoquinolin-8-amine
CID 103142103
N-(5-bromo-2-nitrophenyl)-N-ethylpiperidin-3-amine
CID 65343726
N-ethyl-5-nitro-N-piperidin-3-ylpyrimidin-2-amine
CID 63638105
N-ethyl-6-nitro-N-piperidin-3-ylpyridin-3-amine
CID 55244163
5-bromo-N-ethyl-3-nitro-N-piperidin-3-ylpyridin-2-amine
CID 63638104
3-bromo-N-ethyl-4-methyl-5-nitro-N-piperidin-3-ylpyridin-2-amine
CID 104508226
N-ethyl-N-(3-methoxy-4-nitrophenyl)piperidin-3-amine
CID 63670184
(3-nitro-4-pyridinyl) N-tert-butyl-N-[(3S)-piperidin-3-yl]carbamate
CID 175123042
N-(4-methoxy-2-nitrophenyl)-N-propylpiperidin-3-amine
CID 63636836
3-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-4-amine
CID 79719980

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-nitro-N-piperidin-3-ylpyridin-4-amine?
The IUPAC name of N-ethyl-3-nitro-N-piperidin-3-ylpyridin-4-amine (CID 63638439) is N-ethyl-3-nitro-N-piperidin-3-ylpyridin-4-amine.
What is the SMILES notation for N-ethyl-3-nitro-N-piperidin-3-ylpyridin-4-amine?
The canonical SMILES for N-ethyl-3-nitro-N-piperidin-3-ylpyridin-4-amine is CCN(c1ccncc1[N+](=O)[O-])C1CCCNC1.
What is the InChIKey of N-ethyl-3-nitro-N-piperidin-3-ylpyridin-4-amine?
The InChIKey is IACILDCWADMKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-15(10-4-3-6-13-8-10)11-5-7-14-9-12(11)16(17)18/h5,7,9-10,13H,2-4,6,8H2,1H3.
What are the key properties of N-ethyl-3-nitro-N-piperidin-3-ylpyridin-4-amine?
N-ethyl-3-nitro-N-piperidin-3-ylpyridin-4-amine has a molecular weight of 250.30 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-nitro-N-piperidin-3-ylpyridin-4-amine is sourced from PubChem (CID 63638439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).