cyclohexyl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone

C17H24N4O3 — CID 47053881

IUPACcyclohexyl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC(Nc2ncccc2[N+](=O)[O-])CC1
InChIInChI=1S/C17H24N4O3/c22-17(13-5-2-1-3-6-13)20-11-8-14(9-12-20)19-16-15(21(23)24)7-4-10-18-16/h4,7,10,13-14H,1-3,5-6,8-9,11-12H2,(H,18,19)
InChIKeyGYPISNVTDLZFJS-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.97
Rot. Bonds4

About cyclohexyl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone

cyclohexyl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone (PubChem CID 47053881) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is cyclohexyl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone
PubChem CID47053881
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Namecyclohexyl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC(Nc2ncccc2[N+](=O)[O-])CC1
InChIInChI=1S/C17H24N4O3/c22-17(13-5-2-1-3-6-13)20-11-8-14(9-12-20)19-16-15(21(23)24)7-4-10-18-16/h4,7,10,13-14H,1-3,5-6,8-9,11-12H2,(H,18,19)
InChIKeyGYPISNVTDLZFJS-UHFFFAOYSA-N
XLogP2.97
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-cyclopropyl-3-nitropyridin-2-amine;hydrochloride
CID 133059151
indol-1-yl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone
CID 139664540
N-(1-methylsulfonylpiperidin-4-yl)-3-nitropyridin-2-amine
CID 18288213
1H-benzimidazol-2-yl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone
CID 86694195
4-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine
CID 22591412
3-nitro-N-[(3S)-piperidin-3-yl]pyridin-2-amine;hydrochloride
CID 71635602
2-[(3-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 64818217
3-nitro-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride
CID 71635600
N-cycloheptyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306651
N-[1-(2-fluoroethyl)piperidin-3-yl]-3-nitropyridin-2-amine
CID 126821677
morpholin-4-yl-[(3R)-1-(3-nitro-2-pyridinyl)piperidin-3-yl]methanone
CID 51532486
6-(cyclooctylamino)-5-nitropyridine-3-carboxylic acid
CID 81441566

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone (CID 47053881) is cyclohexyl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone is O=C(C1CCCCC1)N1CCC(Nc2ncccc2[N+](=O)[O-])CC1.
What is the InChIKey of cyclohexyl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone?
The InChIKey is GYPISNVTDLZFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c22-17(13-5-2-1-3-6-13)20-11-8-14(9-12-20)19-16-15(21(23)24)7-4-10-18-16/h4,7,10,13-14H,1-3,5-6,8-9,11-12H2,(H,18,19).
What are the key properties of cyclohexyl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone?
cyclohexyl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone has a molecular weight of 332.40 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 47053881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).