5-(5-methyl-2-pyridinyl)-2-(5-propan-2-yltetrazol-1-yl)-N-(pyridazin-4-ylmethyl)benzamide

C22H22N8O — CID 154486349

IUPAC5-(5-methyl-2-pyridinyl)-2-(5-propan-2-yltetrazol-1-yl)-N-(pyridazin-4-ylmethyl)benzamide
SMILESCc1ccc(-c2ccc(-n3nnnc3C(C)C)c(C(=O)NCc3ccnnc3)c2)nc1
InChIInChI=1S/C22H22N8O/c1-14(2)21-27-28-29-30(21)20-7-5-17(19-6-4-15(3)11-23-19)10-18(20)22(31)24-12-16-8-9-25-26-13-16/h4-11,13-14H,12H2,1-3H3,(H,24,31)
InChIKeyUERCGOWEOWVJKG-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.88
Rot. Bonds6

About 5-(5-methyl-2-pyridinyl)-2-(5-propan-2-yltetrazol-1-yl)-N-(pyridazin-4-ylmethyl)benzamide

5-(5-methyl-2-pyridinyl)-2-(5-propan-2-yltetrazol-1-yl)-N-(pyridazin-4-ylmethyl)benzamide (PubChem CID 154486349) has the molecular formula C22H22N8O and a molecular weight of 414.47 g/mol. Its IUPAC name is 5-(5-methyl-2-pyridinyl)-2-(5-propan-2-yltetrazol-1-yl)-N-(pyridazin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name5-(5-methyl-2-pyridinyl)-2-(5-propan-2-yltetrazol-1-yl)-N-(pyridazin-4-ylmethyl)benzamide
PubChem CID154486349
Molecular FormulaC22H22N8O
Molecular Weight414.47 g/mol
Exact Mass414.19
IUPAC Name5-(5-methyl-2-pyridinyl)-2-(5-propan-2-yltetrazol-1-yl)-N-(pyridazin-4-ylmethyl)benzamide
SMILESCc1ccc(-c2ccc(-n3nnnc3C(C)C)c(C(=O)NCc3ccnnc3)c2)nc1
InChIInChI=1S/C22H22N8O/c1-14(2)21-27-28-29-30(21)20-7-5-17(19-6-4-15(3)11-23-19)10-18(20)22(31)24-12-16-8-9-25-26-13-16/h4-11,13-14H,12H2,1-3H3,(H,24,31)
InChIKeyUERCGOWEOWVJKG-UHFFFAOYSA-N
XLogP2.88
TPSA111.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-2-pyridinyl)-2-(5-propan-2-yltetrazol-1-yl)-N-(pyridazin-4-ylmethyl)benzamide?
The IUPAC name of 5-(5-methyl-2-pyridinyl)-2-(5-propan-2-yltetrazol-1-yl)-N-(pyridazin-4-ylmethyl)benzamide (CID 154486349) is 5-(5-methyl-2-pyridinyl)-2-(5-propan-2-yltetrazol-1-yl)-N-(pyridazin-4-ylmethyl)benzamide.
What is the SMILES notation for 5-(5-methyl-2-pyridinyl)-2-(5-propan-2-yltetrazol-1-yl)-N-(pyridazin-4-ylmethyl)benzamide?
The canonical SMILES for 5-(5-methyl-2-pyridinyl)-2-(5-propan-2-yltetrazol-1-yl)-N-(pyridazin-4-ylmethyl)benzamide is Cc1ccc(-c2ccc(-n3nnnc3C(C)C)c(C(=O)NCc3ccnnc3)c2)nc1.
What is the InChIKey of 5-(5-methyl-2-pyridinyl)-2-(5-propan-2-yltetrazol-1-yl)-N-(pyridazin-4-ylmethyl)benzamide?
The InChIKey is UERCGOWEOWVJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O/c1-14(2)21-27-28-29-30(21)20-7-5-17(19-6-4-15(3)11-23-19)10-18(20)22(31)24-12-16-8-9-25-26-13-16/h4-11,13-14H,12H2,1-3H3,(H,24,31).
What are the key properties of 5-(5-methyl-2-pyridinyl)-2-(5-propan-2-yltetrazol-1-yl)-N-(pyridazin-4-ylmethyl)benzamide?
5-(5-methyl-2-pyridinyl)-2-(5-propan-2-yltetrazol-1-yl)-N-(pyridazin-4-ylmethyl)benzamide has a molecular weight of 414.47 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-2-pyridinyl)-2-(5-propan-2-yltetrazol-1-yl)-N-(pyridazin-4-ylmethyl)benzamide is sourced from PubChem (CID 154486349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).