1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C23H25N5O2 — CID 30362950

IUPAC1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccccc1-c1ccc(N2CCC(C(=O)NCc3cccnc3)CC2)nn1
InChIInChI=1S/C23H25N5O2/c1-30-21-7-3-2-6-19(21)20-8-9-22(27-26-20)28-13-10-18(11-14-28)23(29)25-16-17-5-4-12-24-15-17/h2-9,12,15,18H,10-11,13-14,16H2,1H3,(H,25,29)
InChIKeyWEXVGHYWMCMFHB-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.08
Rot. Bonds6

About 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 30362950) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID30362950
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccccc1-c1ccc(N2CCC(C(=O)NCc3cccnc3)CC2)nn1
InChIInChI=1S/C23H25N5O2/c1-30-21-7-3-2-6-19(21)20-8-9-22(27-26-20)28-13-10-18(11-14-28)23(29)25-16-17-5-4-12-24-15-17/h2-9,12,15,18H,10-11,13-14,16H2,1H3,(H,25,29)
InChIKeyWEXVGHYWMCMFHB-UHFFFAOYSA-N
XLogP3.08
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363214
1-(6-phenylpyridazin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 30866618
1-(6-anilinopyridazin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 117084317
N-[(4-fluorophenyl)methyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363820
N-(3,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363123
1-[2-(2-methoxyphenyl)acetyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 46600585
(3S)-1-(6-methoxypyridazin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 97496309
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 90519455
1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]piperidine-4-carboxamide
CID 121072014
N-(2,3-dichlorophenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 121071987
1-(6-phenylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 90518966
1-(3,4-dimethoxybenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 46412193

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 30362950) is 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is COc1ccccc1-c1ccc(N2CCC(C(=O)NCc3cccnc3)CC2)nn1.
What is the InChIKey of 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is WEXVGHYWMCMFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-30-21-7-3-2-6-19(21)20-8-9-22(27-26-20)28-13-10-18(11-14-28)23(29)25-16-17-5-4-12-24-15-17/h2-9,12,15,18H,10-11,13-14,16H2,1H3,(H,25,29).
What are the key properties of 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 30362950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).