(3S)-1-[6-(furan-2-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

C20H21N5O2 — CID 30866511

IUPAC(3S)-1-[6-(furan-2-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccccn1)[C@H]1CCCN(c2ccc(-c3ccco3)nn2)C1
InChIInChI=1S/C20H21N5O2/c26-20(22-13-16-6-1-2-10-21-16)15-5-3-11-25(14-15)19-9-8-17(23-24-19)18-7-4-12-27-18/h1-2,4,6-10,12,15H,3,5,11,13-14H2,(H,22,26)/t15-/m0/s1
InChIKeyMABRDTCRGZQAIH-HNNXBMFYSA-N
MW363.42 g/mol
LogP2.66
Rot. Bonds5

About (3S)-1-[6-(furan-2-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

(3S)-1-[6-(furan-2-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 30866511) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is (3S)-1-[6-(furan-2-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[6-(furan-2-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID30866511
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name(3S)-1-[6-(furan-2-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccccn1)[C@H]1CCCN(c2ccc(-c3ccco3)nn2)C1
InChIInChI=1S/C20H21N5O2/c26-20(22-13-16-6-1-2-10-21-16)15-5-3-11-25(14-15)19-9-8-17(23-24-19)18-7-4-12-27-18/h1-2,4,6-10,12,15H,3,5,11,13-14H2,(H,22,26)/t15-/m0/s1
InChIKeyMABRDTCRGZQAIH-HNNXBMFYSA-N
XLogP2.66
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-(furan-2-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 30364305
N-[(2-fluorophenyl)methyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121071493
(3R)-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 52907602
1-[6-(furan-2-yl)pyridazin-3-yl]-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]piperidine-3-carboxamide
CID 121071514
(3S)-1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 30866249
1-[6-(furan-2-yl)pyridazin-3-yl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 30364330
N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121071510
N-(furan-2-ylmethyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 46329045
N-(furan-2-ylmethyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52992969
1-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 90609970
(3S)-N-(furan-2-ylmethyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
CID 97264818
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 53199213

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[6-(furan-2-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[6-(furan-2-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 30866511) is (3S)-1-[6-(furan-2-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[6-(furan-2-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[6-(furan-2-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is O=C(NCc1ccccn1)[C@H]1CCCN(c2ccc(-c3ccco3)nn2)C1.
What is the InChIKey of (3S)-1-[6-(furan-2-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is MABRDTCRGZQAIH-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-20(22-13-16-6-1-2-10-21-16)15-5-3-11-25(14-15)19-9-8-17(23-24-19)18-7-4-12-27-18/h1-2,4,6-10,12,15H,3,5,11,13-14H2,(H,22,26)/t15-/m0/s1.
What are the key properties of (3S)-1-[6-(furan-2-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
(3S)-1-[6-(furan-2-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[6-(furan-2-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 30866511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).