2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide

C11H10BrN5O — CID 114194058

IUPAC2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCc2cccnn2)c(Br)cn1
InChIInChI=1S/C11H10BrN5O/c12-9-6-14-10(13)4-8(9)11(18)15-5-7-2-1-3-16-17-7/h1-4,6H,5H2,(H2,13,14)(H,15,18)
InChIKeyLBWDEUVIAVWAKR-UHFFFAOYSA-N
MW308.14 g/mol
LogP1.15
Rot. Bonds3

About 2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide

2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide (PubChem CID 114194058) has the molecular formula C11H10BrN5O and a molecular weight of 308.14 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide
PubChem CID114194058
Molecular FormulaC11H10BrN5O
Molecular Weight308.14 g/mol
Exact Mass307.01
IUPAC Name2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCc2cccnn2)c(Br)cn1
InChIInChI=1S/C11H10BrN5O/c12-9-6-14-10(13)4-8(9)11(18)15-5-7-2-1-3-16-17-7/h1-4,6H,5H2,(H2,13,14)(H,15,18)
InChIKeyLBWDEUVIAVWAKR-UHFFFAOYSA-N
XLogP1.15
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide
CID 106897715
2-amino-5-hydroxy-N-(pyridazin-3-ylmethyl)benzamide
CID 102739503
3-amino-4-bromo-N-(pyridazin-3-ylmethyl)benzamide
CID 106894619
2-amino-5-bromo-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide
CID 114194037
5-amino-2,4-difluoro-N-(pyridazin-3-ylmethyl)benzamide
CID 106894546
3-amino-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
CID 106896014
2-amino-N-(5-amino-5-oxopentyl)-5-bromopyridine-4-carboxamide
CID 114194094
2-amino-3-methyl-N-(pyridazin-3-ylmethyl)benzamide
CID 106894585
3-bromo-N-(pyridazin-3-ylmethyl)thiophene-2-carboxamide
CID 106832316
4-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide
CID 106897669
2-amino-5-bromo-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide
CID 114193980
6-bromo-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
CID 106832234

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide (CID 114194058) is 2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide is Nc1cc(C(=O)NCc2cccnn2)c(Br)cn1.
What is the InChIKey of 2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide?
The InChIKey is LBWDEUVIAVWAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN5O/c12-9-6-14-10(13)4-8(9)11(18)15-5-7-2-1-3-16-17-7/h1-4,6H,5H2,(H2,13,14)(H,15,18).
What are the key properties of 2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide?
2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide has a molecular weight of 308.14 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 114194058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).