furan-2-yl-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone

C15H16N4O4 — CID 18144589

IUPACfuran-2-yl-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C15H16N4O4/c20-15(13-2-1-9-23-13)18-7-5-11(6-8-18)17-14-4-3-12(10-16-14)19(21)22/h1-4,9-11H,5-8H2,(H,16,17)
InChIKeyVYYXIMYVRJLTRN-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.30
Rot. Bonds4

About furan-2-yl-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone

furan-2-yl-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone (PubChem CID 18144589) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is furan-2-yl-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone
PubChem CID18144589
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC Namefuran-2-yl-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C15H16N4O4/c20-15(13-2-1-9-23-13)18-7-5-11(6-8-18)17-14-4-3-12(10-16-14)19(21)22/h1-4,9-11H,5-8H2,(H,16,17)
InChIKeyVYYXIMYVRJLTRN-UHFFFAOYSA-N
XLogP2.30
TPSA101.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.30
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

[4-[5-(cyclopropylamino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109271816
furan-2-yl-[4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 133489078
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3,5-dinitrobenzamide
CID 134000280
[4-[2-(difluoromethoxy)-4-nitroanilino]piperidin-1-yl]-(furan-2-yl)methanone
CID 133468016
[2-(cyclopentylamino)-4-pyridinyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 109166110
[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 71896264
N-cyclopentyl-4-(furan-2-carbonyl)-N'-[(4-nitrophenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110020749
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-nitropyridin-2-amine
CID 47054301
5-nitro-N-(1-propylpiperidin-4-yl)pyridin-2-amine
CID 60667091
N-methyl-2-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 32884003
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(2-nitrophenyl)acetamide
CID 16606697
[4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 133373359

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone (CID 18144589) is furan-2-yl-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone is O=C(c1ccco1)N1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1.
What is the InChIKey of furan-2-yl-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone?
The InChIKey is VYYXIMYVRJLTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c20-15(13-2-1-9-23-13)18-7-5-11(6-8-18)17-14-4-3-12(10-16-14)19(21)22/h1-4,9-11H,5-8H2,(H,16,17).
What are the key properties of furan-2-yl-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone?
furan-2-yl-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone has a molecular weight of 316.32 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 18144589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).