6-[(4-methylpiperazin-1-yl)amino]-3-nitropyridine-2-carbonitrile

C11H14N6O2 — CID 103471923

IUPAC6-[(4-methylpiperazin-1-yl)amino]-3-nitropyridine-2-carbonitrile
SMILESCN1CCN(Nc2ccc([N+](=O)[O-])c(C#N)n2)CC1
InChIInChI=1S/C11H14N6O2/c1-15-4-6-16(7-5-15)14-11-3-2-10(17(18)19)9(8-12)13-11/h2-3H,4-7H2,1H3,(H,13,14)
InChIKeyMMJWKYPIKZKEGI-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.44
Rot. Bonds3

About 6-[(4-methylpiperazin-1-yl)amino]-3-nitropyridine-2-carbonitrile

6-[(4-methylpiperazin-1-yl)amino]-3-nitropyridine-2-carbonitrile (PubChem CID 103471923) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 6-[(4-methylpiperazin-1-yl)amino]-3-nitropyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(4-methylpiperazin-1-yl)amino]-3-nitropyridine-2-carbonitrile
PubChem CID103471923
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name6-[(4-methylpiperazin-1-yl)amino]-3-nitropyridine-2-carbonitrile
SMILESCN1CCN(Nc2ccc([N+](=O)[O-])c(C#N)n2)CC1
InChIInChI=1S/C11H14N6O2/c1-15-4-6-16(7-5-15)14-11-3-2-10(17(18)19)9(8-12)13-11/h2-3H,4-7H2,1H3,(H,13,14)
InChIKeyMMJWKYPIKZKEGI-UHFFFAOYSA-N
XLogP0.44
TPSA98.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

2-N-(4-methylpiperazin-1-yl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 83034182
6-[(4-methylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile
CID 103471198
6-(3-morpholin-4-ylpropylamino)-3-nitropyridine-2-carbonitrile
CID 103471217
6-[2-(4-methylpyrazol-1-yl)ethylamino]-3-nitropyridine-2-carbonitrile
CID 103578011
6-(3,3-dimethylbutan-2-ylamino)-3-nitropyridine-2-carbonitrile
CID 103472001
6-[(2,3-dimethylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile
CID 103471178
6-[(3-methoxycyclobutyl)amino]-3-nitropyridine-2-carbonitrile
CID 103578096
3-nitro-6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-2-carbonitrile
CID 133499948
N-(2,3-difluoro-6-nitrophenyl)-4-methylpiperazin-1-amine
CID 83026070
6-[(4-ethylcyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile
CID 103471316
6-(1-cyclopropylbutan-2-ylamino)-3-nitropyridine-2-carbonitrile
CID 103471695
3-nitro-6-[(2-propan-2-ylcyclohexyl)amino]pyridine-2-carbonitrile
CID 103471906

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylpiperazin-1-yl)amino]-3-nitropyridine-2-carbonitrile?
The IUPAC name of 6-[(4-methylpiperazin-1-yl)amino]-3-nitropyridine-2-carbonitrile (CID 103471923) is 6-[(4-methylpiperazin-1-yl)amino]-3-nitropyridine-2-carbonitrile.
What is the SMILES notation for 6-[(4-methylpiperazin-1-yl)amino]-3-nitropyridine-2-carbonitrile?
The canonical SMILES for 6-[(4-methylpiperazin-1-yl)amino]-3-nitropyridine-2-carbonitrile is CN1CCN(Nc2ccc([N+](=O)[O-])c(C#N)n2)CC1.
What is the InChIKey of 6-[(4-methylpiperazin-1-yl)amino]-3-nitropyridine-2-carbonitrile?
The InChIKey is MMJWKYPIKZKEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c1-15-4-6-16(7-5-15)14-11-3-2-10(17(18)19)9(8-12)13-11/h2-3H,4-7H2,1H3,(H,13,14).
What are the key properties of 6-[(4-methylpiperazin-1-yl)amino]-3-nitropyridine-2-carbonitrile?
6-[(4-methylpiperazin-1-yl)amino]-3-nitropyridine-2-carbonitrile has a molecular weight of 262.27 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylpiperazin-1-yl)amino]-3-nitropyridine-2-carbonitrile is sourced from PubChem (CID 103471923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).