2-[[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]methyl]furo[3,2-b]pyridine

C18H19N3O2 — CID 22065970

IUPAC2-[[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]methyl]furo[3,2-b]pyridine
SMILES[O-][n+]1ccccc1C1CCN(Cc2cc3ncccc3o2)CC1
InChIInChI=1S/C18H19N3O2/c22-21-9-2-1-4-17(21)14-6-10-20(11-7-14)13-15-12-16-18(23-15)5-3-8-19-16/h1-5,8-9,12,14H,6-7,10-11,13H2
InChIKeyUKUXQYNZXXRSBC-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.84
Rot. Bonds3

About 2-[[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]methyl]furo[3,2-b]pyridine

2-[[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]methyl]furo[3,2-b]pyridine (PubChem CID 22065970) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]methyl]furo[3,2-b]pyridine.

Molecular Properties

Compound Name2-[[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]methyl]furo[3,2-b]pyridine
PubChem CID22065970
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-[[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]methyl]furo[3,2-b]pyridine
SMILES[O-][n+]1ccccc1C1CCN(Cc2cc3ncccc3o2)CC1
InChIInChI=1S/C18H19N3O2/c22-21-9-2-1-4-17(21)14-6-10-20(11-7-14)13-15-12-16-18(23-15)5-3-8-19-16/h1-5,8-9,12,14H,6-7,10-11,13H2
InChIKeyUKUXQYNZXXRSBC-UHFFFAOYSA-N
XLogP2.84
TPSA56.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-[4-(furo[3,2-b]pyridin-2-ylmethyl)piperazin-1-yl]phenol
CID 10425439
3-[2-(4-phenylpiperidin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 15745413
3-ethenyl-N-[[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]methyl]benzamide
CID 10404821
(3S)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-amine
CID 139674632
2-[3-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylethanamine
CID 110244047
2-[(4-pyridin-4-ylpiperidin-1-yl)methyl]pyridine
CID 16667834
2-[(4-pyridin-2-ylpiperidin-1-yl)methyl]-[1,3]thiazolo[5,4-b]pyridine
CID 10425517
furo[3,2-b]pyridin-2-ylmethyl methanesulfonate
CID 57436173
2-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]-1,3-benzoxazole
CID 17462415
2-[[4-(1-oxidopyridin-1-ium-2-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridine
CID 22065987
furo[3,2-b]pyridin-2-amine
CID 82593833
2-iodofuro[3,2-b]pyridine
CID 126713754

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]methyl]furo[3,2-b]pyridine?
The IUPAC name of 2-[[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]methyl]furo[3,2-b]pyridine (CID 22065970) is 2-[[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]methyl]furo[3,2-b]pyridine.
What is the SMILES notation for 2-[[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]methyl]furo[3,2-b]pyridine?
The canonical SMILES for 2-[[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]methyl]furo[3,2-b]pyridine is [O-][n+]1ccccc1C1CCN(Cc2cc3ncccc3o2)CC1.
What is the InChIKey of 2-[[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]methyl]furo[3,2-b]pyridine?
The InChIKey is UKUXQYNZXXRSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-21-9-2-1-4-17(21)14-6-10-20(11-7-14)13-15-12-16-18(23-15)5-3-8-19-16/h1-5,8-9,12,14H,6-7,10-11,13H2.
What are the key properties of 2-[[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]methyl]furo[3,2-b]pyridine?
2-[[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]methyl]furo[3,2-b]pyridine has a molecular weight of 309.37 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]methyl]furo[3,2-b]pyridine is sourced from PubChem (CID 22065970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).