N-[(4-methylphenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide

C23H25N5O — CID 121071012

IUPACN-[(4-methylphenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCCN(c3ccc(-c4cccnc4)nn3)C2)cc1
InChIInChI=1S/C23H25N5O/c1-17-6-8-18(9-7-17)14-25-23(29)20-5-3-13-28(16-20)22-11-10-21(26-27-22)19-4-2-12-24-15-19/h2,4,6-12,15,20H,3,5,13-14,16H2,1H3,(H,25,29)
InChIKeyMFJXVHGIRSMZSH-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.38
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide

N-[(4-methylphenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 121071012) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID121071012
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN-[(4-methylphenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCCN(c3ccc(-c4cccnc4)nn3)C2)cc1
InChIInChI=1S/C23H25N5O/c1-17-6-8-18(9-7-17)14-25-23(29)20-5-3-13-28(16-20)22-11-10-21(26-27-22)19-4-2-12-24-15-19/h2,4,6-12,15,20H,3,5,13-14,16H2,1H3,(H,25,29)
InChIKeyMFJXVHGIRSMZSH-UHFFFAOYSA-N
XLogP3.38
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-3-ylmethyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070949
(3S)-N-[(4-methylphenyl)methyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93056001
1-[6-(4-methylphenyl)pyridazin-3-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 53004882
N-[(2-chlorophenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071054
1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 53056954
(3S)-N-[(2-methylphenyl)methyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055860
N-[(2-methylphenyl)methyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025098
N-[(4-methylphenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 50785732
N-(4-acetamidophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071100
N-cyclohexyl-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070976
(3S)-1-(6-methoxypyridazin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 97496309
N-[(4-phenylmethoxyphenyl)methyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071238

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide (CID 121071012) is N-[(4-methylphenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide is Cc1ccc(CNC(=O)C2CCCN(c3ccc(-c4cccnc4)nn3)C2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is MFJXVHGIRSMZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-17-6-8-18(9-7-17)14-25-23(29)20-5-3-13-28(16-20)22-11-10-21(26-27-22)19-4-2-12-24-15-19/h2,4,6-12,15,20H,3,5,13-14,16H2,1H3,(H,25,29).
What are the key properties of N-[(4-methylphenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide?
N-[(4-methylphenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 121071012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).