6-[2-(1-methylpiperidin-4-yl)ethylamino]-5-nitropyridine-3-carbonitrile

C14H19N5O2 — CID 103472122

IUPAC6-[2-(1-methylpiperidin-4-yl)ethylamino]-5-nitropyridine-3-carbonitrile
SMILESCN1CCC(CCNc2ncc(C#N)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H19N5O2/c1-18-6-3-11(4-7-18)2-5-16-14-13(19(20)21)8-12(9-15)10-17-14/h8,10-11H,2-7H2,1H3,(H,16,17)
InChIKeyAHAOMSYSNYCGBF-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.01
Rot. Bonds5

About 6-[2-(1-methylpiperidin-4-yl)ethylamino]-5-nitropyridine-3-carbonitrile

6-[2-(1-methylpiperidin-4-yl)ethylamino]-5-nitropyridine-3-carbonitrile (PubChem CID 103472122) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 6-[2-(1-methylpiperidin-4-yl)ethylamino]-5-nitropyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-(1-methylpiperidin-4-yl)ethylamino]-5-nitropyridine-3-carbonitrile
PubChem CID103472122
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name6-[2-(1-methylpiperidin-4-yl)ethylamino]-5-nitropyridine-3-carbonitrile
SMILESCN1CCC(CCNc2ncc(C#N)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H19N5O2/c1-18-6-3-11(4-7-18)2-5-16-14-13(19(20)21)8-12(9-15)10-17-14/h8,10-11H,2-7H2,1H3,(H,16,17)
InChIKeyAHAOMSYSNYCGBF-UHFFFAOYSA-N
XLogP2.01
TPSA95.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.01
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

6-(3-cyclopentylpropylamino)-5-nitropyridine-3-carbonitrile
CID 106013027
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-nitropyridin-2-amine
CID 115599538
6-(cyclobutylmethylamino)-5-nitropyridine-3-carbonitrile
CID 103471221
3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-nitropyridin-2-amine
CID 115886021
2-[2-(1-methylpiperidin-4-yl)ethylamino]-3-nitropyridine-4-carbonitrile
CID 115697038
5-nitro-6-(thian-4-ylmethylamino)pyridine-3-carbonitrile
CID 103472056
6-(3-butoxypropylamino)-5-nitropyridine-3-carbonitrile
CID 103472042
5-nitro-6-(oxetan-2-ylmethylamino)pyridine-3-carbonitrile
CID 170428144
6-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-nitropyrimidin-4-amine
CID 114516456
6-[(1-methylpyrrolidin-3-yl)methylamino]-5-nitropyridine-3-carboxylic acid
CID 81437833
6-[(5-cyano-3-nitro-2-pyridinyl)amino]-4-methylhexanoic acid
CID 103469962
6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-nitropyridine-3-carbonitrile
CID 103471625

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-methylpiperidin-4-yl)ethylamino]-5-nitropyridine-3-carbonitrile?
The IUPAC name of 6-[2-(1-methylpiperidin-4-yl)ethylamino]-5-nitropyridine-3-carbonitrile (CID 103472122) is 6-[2-(1-methylpiperidin-4-yl)ethylamino]-5-nitropyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-(1-methylpiperidin-4-yl)ethylamino]-5-nitropyridine-3-carbonitrile?
The canonical SMILES for 6-[2-(1-methylpiperidin-4-yl)ethylamino]-5-nitropyridine-3-carbonitrile is CN1CCC(CCNc2ncc(C#N)cc2[N+](=O)[O-])CC1.
What is the InChIKey of 6-[2-(1-methylpiperidin-4-yl)ethylamino]-5-nitropyridine-3-carbonitrile?
The InChIKey is AHAOMSYSNYCGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-18-6-3-11(4-7-18)2-5-16-14-13(19(20)21)8-12(9-15)10-17-14/h8,10-11H,2-7H2,1H3,(H,16,17).
What are the key properties of 6-[2-(1-methylpiperidin-4-yl)ethylamino]-5-nitropyridine-3-carbonitrile?
6-[2-(1-methylpiperidin-4-yl)ethylamino]-5-nitropyridine-3-carbonitrile has a molecular weight of 289.34 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-methylpiperidin-4-yl)ethylamino]-5-nitropyridine-3-carbonitrile is sourced from PubChem (CID 103472122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).