1-(5-bromo-1-methyl-6-oxopyridazin-4-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

C17H20BrN5O2 — CID 133303625

IUPAC1-(5-bromo-1-methyl-6-oxopyridazin-4-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3cnn(C)c(=O)c3Br)CC2)nc1
InChIInChI=1S/C17H20BrN5O2/c1-11-3-4-14(19-9-11)21-16(24)12-5-7-23(8-6-12)13-10-20-22(2)17(25)15(13)18/h3-4,9-10,12H,5-8H2,1-2H3,(H,19,21,24)
InChIKeyVWRABCHLSRJMJN-UHFFFAOYSA-N
MW406.28 g/mol
LogP2.10
Rot. Bonds3

About 1-(5-bromo-1-methyl-6-oxopyridazin-4-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

1-(5-bromo-1-methyl-6-oxopyridazin-4-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 133303625) has the molecular formula C17H20BrN5O2 and a molecular weight of 406.28 g/mol. Its IUPAC name is 1-(5-bromo-1-methyl-6-oxopyridazin-4-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-1-methyl-6-oxopyridazin-4-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID133303625
Molecular FormulaC17H20BrN5O2
Molecular Weight406.28 g/mol
Exact Mass405.08
IUPAC Name1-(5-bromo-1-methyl-6-oxopyridazin-4-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3cnn(C)c(=O)c3Br)CC2)nc1
InChIInChI=1S/C17H20BrN5O2/c1-11-3-4-14(19-9-11)21-16(24)12-5-7-23(8-6-12)13-10-20-22(2)17(25)15(13)18/h3-4,9-10,12H,5-8H2,1-2H3,(H,19,21,24)
InChIKeyVWRABCHLSRJMJN-UHFFFAOYSA-N
XLogP2.10
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-methylpyridazin-3-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 121119029
1-(6-bromoquinazolin-4-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 87021145
2-[4-[(5-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]propanoic acid
CID 119924327
1-(3-cyanopyrazin-2-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 133283658
1-[1-(4-bromophenyl)cyclopentanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55810021
N-(5-methyl-2-pyridinyl)-1-(2-propan-2-ylsulfonylpropanoyl)piperidine-4-carboxamide
CID 55993439
1-(2-aminobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119946668
1-(4-chlorobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 24980605
(3R)-1-(4-bromophenyl)sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 26028129
trans-(1S,3S)-3-methyl-N-(5-methyl-2-pyridinyl)cyclopentane-1-carboxamide
CID 58763333
1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 133359780
3,4-dimethyl-6-[(5-methyl-2-pyridinyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 6467718

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-methyl-6-oxopyridazin-4-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-bromo-1-methyl-6-oxopyridazin-4-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 133303625) is 1-(5-bromo-1-methyl-6-oxopyridazin-4-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-bromo-1-methyl-6-oxopyridazin-4-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-bromo-1-methyl-6-oxopyridazin-4-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(c3cnn(C)c(=O)c3Br)CC2)nc1.
What is the InChIKey of 1-(5-bromo-1-methyl-6-oxopyridazin-4-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is VWRABCHLSRJMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN5O2/c1-11-3-4-14(19-9-11)21-16(24)12-5-7-23(8-6-12)13-10-20-22(2)17(25)15(13)18/h3-4,9-10,12H,5-8H2,1-2H3,(H,19,21,24).
What are the key properties of 1-(5-bromo-1-methyl-6-oxopyridazin-4-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-(5-bromo-1-methyl-6-oxopyridazin-4-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 406.28 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1-methyl-6-oxopyridazin-4-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 133303625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).