6-(2-bromoanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide

C17H14BrN5O — CID 109120909

IUPAC6-(2-bromoanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc(Nc2ccccc2Br)nn1
InChIInChI=1S/C17H14BrN5O/c18-13-6-1-2-7-14(13)21-16-9-8-15(22-23-16)17(24)20-11-12-5-3-4-10-19-12/h1-10H,11H2,(H,20,24)(H,21,23)
InChIKeyHMRKPLXTCLYKKW-UHFFFAOYSA-N
MW384.24 g/mol
LogP3.31
Rot. Bonds5

About 6-(2-bromoanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide

6-(2-bromoanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide (PubChem CID 109120909) has the molecular formula C17H14BrN5O and a molecular weight of 384.24 g/mol. Its IUPAC name is 6-(2-bromoanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-bromoanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
PubChem CID109120909
Molecular FormulaC17H14BrN5O
Molecular Weight384.24 g/mol
Exact Mass383.04
IUPAC Name6-(2-bromoanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc(Nc2ccccc2Br)nn1
InChIInChI=1S/C17H14BrN5O/c18-13-6-1-2-7-14(13)21-16-9-8-15(22-23-16)17(24)20-11-12-5-3-4-10-19-12/h1-10H,11H2,(H,20,24)(H,21,23)
InChIKeyHMRKPLXTCLYKKW-UHFFFAOYSA-N
XLogP3.31
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.24
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120841
6-(2-ethylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120853
6-(2-tert-butylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120862
6-(4-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120843
6-(4-tert-butylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120863
6-(benzylamino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109117697
6-(2-bromoanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110542
6-(2-bromoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109121707
N-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109120891
6-(2-bromoanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 109125333
2-[(2-bromobenzoyl)amino]-N-(pyridin-2-ylmethyl)benzamide
CID 26549863
6-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109349816

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromoanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(2-bromoanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide (CID 109120909) is 6-(2-bromoanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-bromoanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-bromoanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide is O=C(NCc1ccccn1)c1ccc(Nc2ccccc2Br)nn1.
What is the InChIKey of 6-(2-bromoanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is HMRKPLXTCLYKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN5O/c18-13-6-1-2-7-14(13)21-16-9-8-15(22-23-16)17(24)20-11-12-5-3-4-10-19-12/h1-10H,11H2,(H,20,24)(H,21,23).
What are the key properties of 6-(2-bromoanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide?
6-(2-bromoanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 384.24 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromoanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109120909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).