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

C17H24N6O2 — CID 122137908

IUPACN,6-dimethyl-5-nitro-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]pyridin-2-amine
SMILESCc1nc(N(C)C2CCN(CCn3cccn3)CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C17H24N6O2/c1-14-16(23(24)25)4-5-17(19-14)20(2)15-6-10-21(11-7-15)12-13-22-9-3-8-18-22/h3-5,8-9,15H,6-7,10-13H2,1-2H3
InChIKeyKGAKDWVWRFQKCV-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.10
Rot. Bonds6

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

N,6-dimethyl-5-nitro-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]pyridin-2-amine (PubChem CID 122137908) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N,6-dimethyl-5-nitro-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]pyridin-2-amine.

Molecular Properties

Compound NameN,6-dimethyl-5-nitro-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]pyridin-2-amine
PubChem CID122137908
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC NameN,6-dimethyl-5-nitro-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]pyridin-2-amine
SMILESCc1nc(N(C)C2CCN(CCn3cccn3)CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C17H24N6O2/c1-14-16(23(24)25)4-5-17(19-14)20(2)15-6-10-21(11-7-15)12-13-22-9-3-8-18-22/h3-5,8-9,15H,6-7,10-13H2,1-2H3
InChIKeyKGAKDWVWRFQKCV-UHFFFAOYSA-N
XLogP2.10
TPSA80.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.10
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-5-nitro-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]pyridin-2-amine?
The IUPAC name of N,6-dimethyl-5-nitro-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]pyridin-2-amine (CID 122137908) is N,6-dimethyl-5-nitro-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]pyridin-2-amine.
What is the SMILES notation for N,6-dimethyl-5-nitro-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]pyridin-2-amine?
The canonical SMILES for N,6-dimethyl-5-nitro-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]pyridin-2-amine is Cc1nc(N(C)C2CCN(CCn3cccn3)CC2)ccc1[N+](=O)[O-].
What is the InChIKey of N,6-dimethyl-5-nitro-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]pyridin-2-amine?
The InChIKey is KGAKDWVWRFQKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-14-16(23(24)25)4-5-17(19-14)20(2)15-6-10-21(11-7-15)12-13-22-9-3-8-18-22/h3-5,8-9,15H,6-7,10-13H2,1-2H3.
What are the key properties of N,6-dimethyl-5-nitro-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]pyridin-2-amine?
N,6-dimethyl-5-nitro-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]pyridin-2-amine has a molecular weight of 344.42 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-5-nitro-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]pyridin-2-amine is sourced from PubChem (CID 122137908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).