(3S)-N-(furan-2-ylmethyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide

C16H20N4O3 — CID 97264818

IUPAC(3S)-N-(furan-2-ylmethyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
SMILESCOc1ccc(N2CCC[C@H](C(=O)NCc3ccco3)C2)nn1
InChIInChI=1S/C16H20N4O3/c1-22-15-7-6-14(18-19-15)20-8-2-4-12(11-20)16(21)17-10-13-5-3-9-23-13/h3,5-7,9,12H,2,4,8,10-11H2,1H3,(H,17,21)/t12-/m0/s1
InChIKeyXETUWDIGGXEJMS-LBPRGKRZSA-N
MW316.36 g/mol
LogP1.61
Rot. Bonds5

About (3S)-N-(furan-2-ylmethyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide

(3S)-N-(furan-2-ylmethyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 97264818) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is (3S)-N-(furan-2-ylmethyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(furan-2-ylmethyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
PubChem CID97264818
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name(3S)-N-(furan-2-ylmethyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
SMILESCOc1ccc(N2CCC[C@H](C(=O)NCc3ccco3)C2)nn1
InChIInChI=1S/C16H20N4O3/c1-22-15-7-6-14(18-19-15)20-8-2-4-12(11-20)16(21)17-10-13-5-3-9-23-13/h3,5-7,9,12H,2,4,8,10-11H2,1H3,(H,17,21)/t12-/m0/s1
InChIKeyXETUWDIGGXEJMS-LBPRGKRZSA-N
XLogP1.61
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 46329045
1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 46329039
N-(furan-2-ylmethyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52992969
N-[(2-methoxyphenyl)methyl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
CID 71706569
(3S)-1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 30866249
N-[(4-chlorophenyl)methyl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
CID 71701098
(3S)-N-(furan-2-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639433
(3S)-1-(6-methoxypyridazin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 97496309
(3R)-N-(3-methoxypropyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
CID 97265102
N-(furan-2-ylmethyl)-1-pyridin-4-ylpiperidine-3-carboxamide
CID 20973198
(3R)-N-(furan-2-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452670
N-(furan-2-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223399

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(furan-2-ylmethyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(furan-2-ylmethyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide (CID 97264818) is (3S)-N-(furan-2-ylmethyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(furan-2-ylmethyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(furan-2-ylmethyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide is COc1ccc(N2CCC[C@H](C(=O)NCc3ccco3)C2)nn1.
What is the InChIKey of (3S)-N-(furan-2-ylmethyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is XETUWDIGGXEJMS-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-22-15-7-6-14(18-19-15)20-8-2-4-12(11-20)16(21)17-10-13-5-3-9-23-13/h3,5-7,9,12H,2,4,8,10-11H2,1H3,(H,17,21)/t12-/m0/s1.
What are the key properties of (3S)-N-(furan-2-ylmethyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide?
(3S)-N-(furan-2-ylmethyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(furan-2-ylmethyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 97264818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).