N-ethyl-4-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine

C13H20N4O2 — CID 79719680

IUPACN-ethyl-4-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine
SMILESCCN(CC1CCNCC1)c1cc([N+](=O)[O-])ccn1
InChIInChI=1S/C13H20N4O2/c1-2-16(10-11-3-6-14-7-4-11)13-9-12(17(18)19)5-8-15-13/h5,8-9,11,14H,2-4,6-7,10H2,1H3
InChIKeyXIBGBXGRJSPDPQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.82
Rot. Bonds5

About N-ethyl-4-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine

N-ethyl-4-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine (PubChem CID 79719680) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-ethyl-4-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine
PubChem CID79719680
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-ethyl-4-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine
SMILESCCN(CC1CCNCC1)c1cc([N+](=O)[O-])ccn1
InChIInChI=1S/C13H20N4O2/c1-2-16(10-11-3-6-14-7-4-11)13-9-12(17(18)19)5-8-15-13/h5,8-9,11,14H,2-4,6-7,10H2,1H3
InChIKeyXIBGBXGRJSPDPQ-UHFFFAOYSA-N
XLogP1.82
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.82
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-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-2-amine
CID 79719766
N-(cyclopropylmethyl)-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620134
3-bromo-N-ethyl-5-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 79719389
N-ethyl-3-methyl-5-nitro-N-(piperidin-4-ylmethyl)aniline
CID 115981547
2-[ethyl(piperidin-4-ylmethyl)amino]-3-nitropyridine-4-carbonitrile
CID 82795332
4-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 63304533
5-nitro-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine
CID 79719258
N-ethyl-4-methyl-2-nitro-N-(piperidin-4-ylmethyl)aniline
CID 79719675
methyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate
CID 62005391
5-bromo-N-ethyl-2-nitro-N-(piperidin-4-ylmethyl)aniline
CID 79720247
ethyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate
CID 62006831
N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 119929870

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine?
The IUPAC name of N-ethyl-4-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine (CID 79719680) is N-ethyl-4-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-ethyl-4-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-ethyl-4-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine is CCN(CC1CCNCC1)c1cc([N+](=O)[O-])ccn1.
What is the InChIKey of N-ethyl-4-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine?
The InChIKey is XIBGBXGRJSPDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-16(10-11-3-6-14-7-4-11)13-9-12(17(18)19)5-8-15-13/h5,8-9,11,14H,2-4,6-7,10H2,1H3.
What are the key properties of N-ethyl-4-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine?
N-ethyl-4-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine has a molecular weight of 264.33 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 79719680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).