6-methyl-5-nitro-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine

C16H22N6O2 — CID 133446818

IUPAC6-methyl-5-nitro-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine
SMILESCc1nc(Nc2cnn(CCN3CCCCC3)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H22N6O2/c1-13-15(22(23)24)5-6-16(18-13)19-14-11-17-21(12-14)10-9-20-7-3-2-4-8-20/h5-6,11-12H,2-4,7-10H2,1H3,(H,18,19)
InChIKeyAIYCECVWYAWSCV-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.72
Rot. Bonds6

About 6-methyl-5-nitro-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine

6-methyl-5-nitro-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine (PubChem CID 133446818) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 6-methyl-5-nitro-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-5-nitro-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine
PubChem CID133446818
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name6-methyl-5-nitro-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine
SMILESCc1nc(Nc2cnn(CCN3CCCCC3)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H22N6O2/c1-13-15(22(23)24)5-6-16(18-13)19-14-11-17-21(12-14)10-9-20-7-3-2-4-8-20/h5-6,11-12H,2-4,7-10H2,1H3,(H,18,19)
InChIKeyAIYCECVWYAWSCV-UHFFFAOYSA-N
XLogP2.72
TPSA89.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.72
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

methyl 2-nitro-5-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]amino]benzoate
CID 133446833
N-(2,4-dinitrophenyl)-1-(2-piperidin-1-ylethyl)pyrazol-4-amine
CID 133446904
N-(4,5-dimethoxy-2-nitrophenyl)-1-(2-piperidin-1-ylethyl)pyrazol-4-amine
CID 133446885
6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine
CID 103764691
N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-methyl-3-nitropyridin-2-amine
CID 81139034
N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-6-methyl-5-nitropyridin-2-amine
CID 97226193
N-[(2-methyl-3-pyridinyl)methyl]-1-(2-piperidin-1-ylethyl)pyrazol-4-amine
CID 75484802
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-5-nitropyridin-2-amine
CID 133343039
6-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-5-nitropyridin-2-amine
CID 133459767
N-(4-methyl-2-nitrophenyl)-1-propylpyrazol-4-amine
CID 133389844
6-N-ethyl-3-nitro-2-N-(2-piperidin-1-ylethyl)pyridine-2,6-diamine
CID 80786129
N,6-dimethyl-5-nitro-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]pyridin-2-amine
CID 122137908

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-nitro-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine?
The IUPAC name of 6-methyl-5-nitro-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine (CID 133446818) is 6-methyl-5-nitro-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 6-methyl-5-nitro-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine?
The canonical SMILES for 6-methyl-5-nitro-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine is Cc1nc(Nc2cnn(CCN3CCCCC3)c2)ccc1[N+](=O)[O-].
What is the InChIKey of 6-methyl-5-nitro-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine?
The InChIKey is AIYCECVWYAWSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-13-15(22(23)24)5-6-16(18-13)19-14-11-17-21(12-14)10-9-20-7-3-2-4-8-20/h5-6,11-12H,2-4,7-10H2,1H3,(H,18,19).
What are the key properties of 6-methyl-5-nitro-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine?
6-methyl-5-nitro-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine has a molecular weight of 330.39 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-nitro-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 133446818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).