N-[1-(furan-2-yl)ethyl]-N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide

C17H21N7O2 — CID 78852969

IUPACN-[1-(furan-2-yl)ethyl]-N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESCC(c1ccco1)N(C)C(=O)C1CCN(c2ccc3nnnn3n2)CC1
InChIInChI=1S/C17H21N7O2/c1-12(14-4-3-11-26-14)22(2)17(25)13-7-9-23(10-8-13)16-6-5-15-18-20-21-24(15)19-16/h3-6,11-13H,7-10H2,1-2H3
InChIKeyRJRSUHFTWSMPFO-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.55
Rot. Bonds4

About N-[1-(furan-2-yl)ethyl]-N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide

N-[1-(furan-2-yl)ethyl]-N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide (PubChem CID 78852969) has the molecular formula C17H21N7O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
PubChem CID78852969
Molecular FormulaC17H21N7O2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC NameN-[1-(furan-2-yl)ethyl]-N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESCC(c1ccco1)N(C)C(=O)C1CCN(c2ccc3nnnn3n2)CC1
InChIInChI=1S/C17H21N7O2/c1-12(14-4-3-11-26-14)22(2)17(25)13-7-9-23(10-8-13)16-6-5-15-18-20-21-24(15)19-16/h3-6,11-13H,7-10H2,1-2H3
InChIKeyRJRSUHFTWSMPFO-UHFFFAOYSA-N
XLogP1.55
TPSA92.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide (CID 78852969) is N-[1-(furan-2-yl)ethyl]-N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide is CC(c1ccco1)N(C)C(=O)C1CCN(c2ccc3nnnn3n2)CC1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The InChIKey is RJRSUHFTWSMPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O2/c1-12(14-4-3-11-26-14)22(2)17(25)13-7-9-23(10-8-13)16-6-5-15-18-20-21-24(15)19-16/h3-6,11-13H,7-10H2,1-2H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]-N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
N-[1-(furan-2-yl)ethyl]-N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 78852969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).