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

C18H17N5O — CID 109117697

IUPAC6-(benzylamino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc(NCc2ccccc2)nn1
InChIInChI=1S/C18H17N5O/c24-18(21-13-15-8-4-5-11-19-15)16-9-10-17(23-22-16)20-12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,20,23)(H,21,24)
InChIKeyZTTBCZKIJIUEFK-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.41
Rot. Bonds6

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

6-(benzylamino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide (PubChem CID 109117697) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 6-(benzylamino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(benzylamino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
PubChem CID109117697
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name6-(benzylamino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc(NCc2ccccc2)nn1
InChIInChI=1S/C18H17N5O/c24-18(21-13-15-8-4-5-11-19-15)16-9-10-17(23-22-16)20-12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,20,23)(H,21,24)
InChIKeyZTTBCZKIJIUEFK-UHFFFAOYSA-N
XLogP2.41
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109119531
N-[(4-methoxyphenyl)methyl]-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120257
N-butyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109110804
N-benzyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109119056
6-(4-tert-butylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120863
6-(2-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120841
6-(2-bromoanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120909
6-(4-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120843
6-(2-tert-butylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120862
6-(benzylamino)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
CID 109117515
N-benzyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109346632
6-(2-ethylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120853

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(benzylamino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide (CID 109117697) is 6-(benzylamino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(benzylamino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(benzylamino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide is O=C(NCc1ccccn1)c1ccc(NCc2ccccc2)nn1.
What is the InChIKey of 6-(benzylamino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is ZTTBCZKIJIUEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c24-18(21-13-15-8-4-5-11-19-15)16-9-10-17(23-22-16)20-12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,20,23)(H,21,24).
What are the key properties of 6-(benzylamino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide?
6-(benzylamino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109117697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).