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

C24H27N5O — CID 53056954

IUPAC1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
SMILESCc1ccc(-c2ccc(N3CCCC(C(=O)NCc4ccncc4)C3)nn2)cc1C
InChIInChI=1S/C24H27N5O/c1-17-5-6-20(14-18(17)2)22-7-8-23(28-27-22)29-13-3-4-21(16-29)24(30)26-15-19-9-11-25-12-10-19/h5-12,14,21H,3-4,13,15-16H2,1-2H3,(H,26,30)
InChIKeyNUNRLEJLHGPLCP-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.69
Rot. Bonds5

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

1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide (PubChem CID 53056954) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
PubChem CID53056954
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
SMILESCc1ccc(-c2ccc(N3CCCC(C(=O)NCc4ccncc4)C3)nn2)cc1C
InChIInChI=1S/C24H27N5O/c1-17-5-6-20(14-18(17)2)22-7-8-23(28-27-22)29-13-3-4-21(16-29)24(30)26-15-19-9-11-25-12-10-19/h5-12,14,21H,3-4,13,15-16H2,1-2H3,(H,26,30)
InChIKeyNUNRLEJLHGPLCP-UHFFFAOYSA-N
XLogP3.69
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53056953
1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 53056955
(3S)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-propan-2-ylpiperidine-3-carboxamide
CID 95055554
(3S)-N-[(4-methylphenyl)methyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93056001
N-[(4-methylphenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071012
1-[6-(4-methylphenyl)pyridazin-3-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 53004882
N-(pyridin-3-ylmethyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070949
(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
(3S)-N-[(4-chlorophenyl)methyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 30356026
(3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 97414234
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 96558140

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide (CID 53056954) is 1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide is Cc1ccc(-c2ccc(N3CCCC(C(=O)NCc4ccncc4)C3)nn2)cc1C.
What is the InChIKey of 1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The InChIKey is NUNRLEJLHGPLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-17-5-6-20(14-18(17)2)22-7-8-23(28-27-22)29-13-3-4-21(16-29)24(30)26-15-19-9-11-25-12-10-19/h5-12,14,21H,3-4,13,15-16H2,1-2H3,(H,26,30).
What are the key properties of 1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 53056954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).