N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide

C22H20N6O — CID 71791832

IUPACN-benzyl-6-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)N(Cc3ccccc3)c3ccccn3)nn2)n1
InChIInChI=1S/C22H20N6O/c1-16-14-17(2)28(26-16)21-12-11-19(24-25-21)22(29)27(20-10-6-7-13-23-20)15-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3
InChIKeyBIJJWXRMDMSFIC-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.52
Rot. Bonds5

About N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide

N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide (PubChem CID 71791832) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide
PubChem CID71791832
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC NameN-benzyl-6-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)N(Cc3ccccc3)c3ccccn3)nn2)n1
InChIInChI=1S/C22H20N6O/c1-16-14-17(2)28(26-16)21-12-11-19(24-25-21)22(29)27(20-10-6-7-13-23-20)15-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3
InChIKeyBIJJWXRMDMSFIC-UHFFFAOYSA-N
XLogP3.52
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide
CID 90514300
N-benzyl-N-pyridin-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90536819
N-benzyl-6-ethoxy-N-pyridin-2-ylpyrimidine-4-carboxamide
CID 121167614
N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 55668766
3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]propanoic acid
CID 122059582
N-benzyl-2,4-dimethyl-N-pyridin-2-ylpyrimidine-5-carboxamide
CID 84596527
2-(3,5-dimethylpyrazol-1-yl)pyridine
CID 676764
N-benzyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-phenylazetidine-3-carboxamide
CID 121168993
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 38420472
N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide
CID 26912749
N-benzyl-3,5,6-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide
CID 18830949
N-benzyl-2-methoxy-N-pyridin-2-ylacetamide
CID 798237

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide?
The IUPAC name of N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide (CID 71791832) is N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide is Cc1cc(C)n(-c2ccc(C(=O)N(Cc3ccccc3)c3ccccn3)nn2)n1.
What is the InChIKey of N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide?
The InChIKey is BIJJWXRMDMSFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c1-16-14-17(2)28(26-16)21-12-11-19(24-25-21)22(29)27(20-10-6-7-13-23-20)15-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3.
What are the key properties of N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide?
N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 71791832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).