6-[(E)-2-(dimethylamino)ethenyl]-N-methyl-5-nitro-N-piperidin-4-ylpyridin-2-amine

C15H23N5O2 — CID 141345743

IUPAC6-[(E)-2-(dimethylamino)ethenyl]-N-methyl-5-nitro-N-piperidin-4-ylpyridin-2-amine
SMILESCN(C)/C=C/c1nc(N(C)C2CCNCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H23N5O2/c1-18(2)11-8-13-14(20(21)22)4-5-15(17-13)19(3)12-6-9-16-10-7-12/h4-5,8,11-12,16H,6-7,9-10H2,1-3H3/b11-8+
InChIKeyCUOJDCALHPDWHX-DHZHZOJOSA-N
MW305.38 g/mol
LogP1.71
Rot. Bonds5

About 6-[(E)-2-(dimethylamino)ethenyl]-N-methyl-5-nitro-N-piperidin-4-ylpyridin-2-amine

6-[(E)-2-(dimethylamino)ethenyl]-N-methyl-5-nitro-N-piperidin-4-ylpyridin-2-amine (PubChem CID 141345743) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 6-[(E)-2-(dimethylamino)ethenyl]-N-methyl-5-nitro-N-piperidin-4-ylpyridin-2-amine.

Molecular Properties

Compound Name6-[(E)-2-(dimethylamino)ethenyl]-N-methyl-5-nitro-N-piperidin-4-ylpyridin-2-amine
PubChem CID141345743
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name6-[(E)-2-(dimethylamino)ethenyl]-N-methyl-5-nitro-N-piperidin-4-ylpyridin-2-amine
SMILESCN(C)/C=C/c1nc(N(C)C2CCNCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H23N5O2/c1-18(2)11-8-13-14(20(21)22)4-5-15(17-13)19(3)12-6-9-16-10-7-12/h4-5,8,11-12,16H,6-7,9-10H2,1-3H3/b11-8+
InChIKeyCUOJDCALHPDWHX-DHZHZOJOSA-N
XLogP1.71
TPSA74.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-methyl-N-(2-nitrophenyl)piperidin-4-amine
CID 171544363
6-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-nitropyridine-2-carbonitrile
CID 103472222
N-methyl-6-nitro-N-pyrrolidin-3-ylquinolin-2-amine
CID 63301397
5-[methyl(piperidin-4-yl)amino]-2-nitrobenzoic acid
CID 61404765
tert-butyl 2-[6-[(E)-2-(dimethylamino)ethenyl]-5-nitro-2-pyridinyl]piperazine-1-carboxylate
CID 155670710
N-methyl-N-(4-methyl-3-nitrophenyl)pyrrolidin-3-amine
CID 63301254
6-[cyclohexyl(methyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768891
6-[ethyl(piperidin-4-yl)amino]-5-nitropyridine-2-carboxylic acid
CID 114403758
N,3-dimethyl-4-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119966044
N-[(3-chloro-4-nitrophenyl)methyl]-N-methylpiperidin-4-amine
CID 120835248
5-[ethyl(piperidin-4-yl)amino]-2-nitrobenzoic acid
CID 61404768
3-[6-[methyl(piperidin-4-yl)amino]-3-pyridinyl]prop-2-enoic acid;dihydrochloride
CID 68962297

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-(dimethylamino)ethenyl]-N-methyl-5-nitro-N-piperidin-4-ylpyridin-2-amine?
The IUPAC name of 6-[(E)-2-(dimethylamino)ethenyl]-N-methyl-5-nitro-N-piperidin-4-ylpyridin-2-amine (CID 141345743) is 6-[(E)-2-(dimethylamino)ethenyl]-N-methyl-5-nitro-N-piperidin-4-ylpyridin-2-amine.
What is the SMILES notation for 6-[(E)-2-(dimethylamino)ethenyl]-N-methyl-5-nitro-N-piperidin-4-ylpyridin-2-amine?
The canonical SMILES for 6-[(E)-2-(dimethylamino)ethenyl]-N-methyl-5-nitro-N-piperidin-4-ylpyridin-2-amine is CN(C)/C=C/c1nc(N(C)C2CCNCC2)ccc1[N+](=O)[O-].
What is the InChIKey of 6-[(E)-2-(dimethylamino)ethenyl]-N-methyl-5-nitro-N-piperidin-4-ylpyridin-2-amine?
The InChIKey is CUOJDCALHPDWHX-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-18(2)11-8-13-14(20(21)22)4-5-15(17-13)19(3)12-6-9-16-10-7-12/h4-5,8,11-12,16H,6-7,9-10H2,1-3H3/b11-8+.
What are the key properties of 6-[(E)-2-(dimethylamino)ethenyl]-N-methyl-5-nitro-N-piperidin-4-ylpyridin-2-amine?
6-[(E)-2-(dimethylamino)ethenyl]-N-methyl-5-nitro-N-piperidin-4-ylpyridin-2-amine has a molecular weight of 305.38 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-(dimethylamino)ethenyl]-N-methyl-5-nitro-N-piperidin-4-ylpyridin-2-amine is sourced from PubChem (CID 141345743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).