6-[4-methyl-4-(methylamino)piperidin-1-yl]-3-nitropyridine-2-carbonitrile

C13H17N5O2 — CID 103472568

IUPAC6-[4-methyl-4-(methylamino)piperidin-1-yl]-3-nitropyridine-2-carbonitrile
SMILESCNC1(C)CCN(c2ccc([N+](=O)[O-])c(C#N)n2)CC1
InChIInChI=1S/C13H17N5O2/c1-13(15-2)5-7-17(8-6-13)12-4-3-11(18(19)20)10(9-14)16-12/h3-4,15H,5-8H2,1-2H3
InChIKeyKCWDSRWSMRQEBZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.44
Rot. Bonds3

About 6-[4-methyl-4-(methylamino)piperidin-1-yl]-3-nitropyridine-2-carbonitrile

6-[4-methyl-4-(methylamino)piperidin-1-yl]-3-nitropyridine-2-carbonitrile (PubChem CID 103472568) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 6-[4-methyl-4-(methylamino)piperidin-1-yl]-3-nitropyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-methyl-4-(methylamino)piperidin-1-yl]-3-nitropyridine-2-carbonitrile
PubChem CID103472568
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name6-[4-methyl-4-(methylamino)piperidin-1-yl]-3-nitropyridine-2-carbonitrile
SMILESCNC1(C)CCN(c2ccc([N+](=O)[O-])c(C#N)n2)CC1
InChIInChI=1S/C13H17N5O2/c1-13(15-2)5-7-17(8-6-13)12-4-3-11(18(19)20)10(9-14)16-12/h3-4,15H,5-8H2,1-2H3
InChIKeyKCWDSRWSMRQEBZ-UHFFFAOYSA-N
XLogP1.44
TPSA95.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.44
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'}

Analyze 6-[4-methyl-4-(methylamino)piperidin-1-yl]-3-nitropyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-nitro-6-piperidin-1-ylpyridine-2-carbonitrile
CID 133499892
1-(6-methoxy-3-nitro-2-pyridinyl)-N,4-dimethylpiperidin-4-amine
CID 115323328
6-(4-hydroxy-3-methylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile
CID 103473000
6-(3-aminopiperidin-1-yl)-3-nitropyridine-2-carbonitrile
CID 103472225
6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-nitropyridine-2-carbonitrile
CID 103472601
6-[3-(1-aminoethyl)piperidin-1-yl]-3-nitropyridine-2-carbonitrile
CID 103472343
3-[1-(6-cyano-5-nitro-2-pyridinyl)pyrrolidin-3-yl]propanoic acid
CID 103470056
1-(4-fluoro-2-nitrophenyl)-N,4-dimethylpiperidin-4-amine
CID 115305543
4-(6-cyano-5-nitro-2-pyridinyl)thiomorpholine-3-carboxylic acid
CID 103470090
6-(2-ethylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile
CID 133499900
1-(5-bromo-3-nitro-2-pyridinyl)-N,4-dimethylpiperidin-4-amine
CID 115305468
4-methyl-1-(6-methyl-5-nitro-2-pyridinyl)azepan-4-ol
CID 107407455

Frequently Asked Questions

What is the IUPAC name of 6-[4-methyl-4-(methylamino)piperidin-1-yl]-3-nitropyridine-2-carbonitrile?
The IUPAC name of 6-[4-methyl-4-(methylamino)piperidin-1-yl]-3-nitropyridine-2-carbonitrile (CID 103472568) is 6-[4-methyl-4-(methylamino)piperidin-1-yl]-3-nitropyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-methyl-4-(methylamino)piperidin-1-yl]-3-nitropyridine-2-carbonitrile?
The canonical SMILES for 6-[4-methyl-4-(methylamino)piperidin-1-yl]-3-nitropyridine-2-carbonitrile is CNC1(C)CCN(c2ccc([N+](=O)[O-])c(C#N)n2)CC1.
What is the InChIKey of 6-[4-methyl-4-(methylamino)piperidin-1-yl]-3-nitropyridine-2-carbonitrile?
The InChIKey is KCWDSRWSMRQEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-13(15-2)5-7-17(8-6-13)12-4-3-11(18(19)20)10(9-14)16-12/h3-4,15H,5-8H2,1-2H3.
What are the key properties of 6-[4-methyl-4-(methylamino)piperidin-1-yl]-3-nitropyridine-2-carbonitrile?
6-[4-methyl-4-(methylamino)piperidin-1-yl]-3-nitropyridine-2-carbonitrile has a molecular weight of 275.31 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-methyl-4-(methylamino)piperidin-1-yl]-3-nitropyridine-2-carbonitrile is sourced from PubChem (CID 103472568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).