6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methyl-5-nitropyridin-2-amine

C14H21N5O2 — CID 80836942

IUPAC6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methyl-5-nitropyridin-2-amine
SMILESCNc1ccc([N+](=O)[O-])c(N2CCN3CCCCC3C2)n1
InChIInChI=1S/C14H21N5O2/c1-15-13-6-5-12(19(20)21)14(16-13)18-9-8-17-7-3-2-4-11(17)10-18/h5-6,11H,2-4,7-10H2,1H3,(H,15,16)
InChIKeyKCBBLYCWUJUUFT-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.71
Rot. Bonds3

About 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methyl-5-nitropyridin-2-amine

6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methyl-5-nitropyridin-2-amine (PubChem CID 80836942) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methyl-5-nitropyridin-2-amine
PubChem CID80836942
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methyl-5-nitropyridin-2-amine
SMILESCNc1ccc([N+](=O)[O-])c(N2CCN3CCCCC3C2)n1
InChIInChI=1S/C14H21N5O2/c1-15-13-6-5-12(19(20)21)14(16-13)18-9-8-17-7-3-2-4-11(17)10-18/h5-6,11H,2-4,7-10H2,1H3,(H,15,16)
InChIKeyKCBBLYCWUJUUFT-UHFFFAOYSA-N
XLogP1.71
TPSA74.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
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

6-(4-cyclopropylpiperazin-1-yl)-N-methyl-5-nitropyridin-2-amine
CID 80779221
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-nitropyridine-2-carboxylic acid
CID 114404310
6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-5-nitropyridin-2-amine
CID 80844291
N-methyl-5-nitro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridin-2-amine
CID 80851114
6-(3,5-dimethylpiperidin-1-yl)-N-methyl-5-nitropyridin-2-amine
CID 80766974
2-[1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 114802883
N-methyl-5-nitro-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine
CID 80829989
N-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyridin-2-amine
CID 80790379
2-(5-bromo-3-nitro-2-pyridinyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79919408
N-methyl-5-nitro-6-(3,3,4-trimethylpiperazin-1-yl)pyridin-2-amine
CID 80834541
N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-5-nitropyridin-2-amine
CID 80803212
6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-5-nitropyridin-2-amine
CID 81469195

Frequently Asked Questions

What is the IUPAC name of 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methyl-5-nitropyridin-2-amine?
The IUPAC name of 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methyl-5-nitropyridin-2-amine (CID 80836942) is 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methyl-5-nitropyridin-2-amine?
The canonical SMILES for 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methyl-5-nitropyridin-2-amine is CNc1ccc([N+](=O)[O-])c(N2CCN3CCCCC3C2)n1.
What is the InChIKey of 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methyl-5-nitropyridin-2-amine?
The InChIKey is KCBBLYCWUJUUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-15-13-6-5-12(19(20)21)14(16-13)18-9-8-17-7-3-2-4-11(17)10-18/h5-6,11H,2-4,7-10H2,1H3,(H,15,16).
What are the key properties of 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methyl-5-nitropyridin-2-amine?
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methyl-5-nitropyridin-2-amine has a molecular weight of 291.35 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 80836942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).