2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]benzamide

C22H24N8O2 — CID 146940141

IUPAC2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]benzamide
SMILESCOc1cc(C)c(-c2cnn(C)c2)cc1C(=O)Nc1cccc(-n2nnnc2C(C)C)n1
InChIInChI=1S/C22H24N8O2/c1-13(2)21-26-27-28-30(21)20-8-6-7-19(24-20)25-22(31)17-10-16(14(3)9-18(17)32-5)15-11-23-29(4)12-15/h6-13H,1-5H3,(H,24,25,31)
InChIKeyAGSBBSGXZHGQRK-UHFFFAOYSA-N
MW432.49 g/mol
LogP3.15
Rot. Bonds6

About 2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]benzamide

2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]benzamide (PubChem CID 146940141) has the molecular formula C22H24N8O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is 2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]benzamide
PubChem CID146940141
Molecular FormulaC22H24N8O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC Name2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]benzamide
SMILESCOc1cc(C)c(-c2cnn(C)c2)cc1C(=O)Nc1cccc(-n2nnnc2C(C)C)n1
InChIInChI=1S/C22H24N8O2/c1-13(2)21-26-27-28-30(21)20-8-6-7-19(24-20)25-22(31)17-10-16(14(3)9-18(17)32-5)15-11-23-29(4)12-15/h6-13H,1-5H3,(H,24,25,31)
InChIKeyAGSBBSGXZHGQRK-UHFFFAOYSA-N
XLogP3.15
TPSA112.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]benzamide?
The IUPAC name of 2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]benzamide (CID 146940141) is 2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]benzamide is COc1cc(C)c(-c2cnn(C)c2)cc1C(=O)Nc1cccc(-n2nnnc2C(C)C)n1.
What is the InChIKey of 2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]benzamide?
The InChIKey is AGSBBSGXZHGQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2/c1-13(2)21-26-27-28-30(21)20-8-6-7-19(24-20)25-22(31)17-10-16(14(3)9-18(17)32-5)15-11-23-29(4)12-15/h6-13H,1-5H3,(H,24,25,31).
What are the key properties of 2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]benzamide?
2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]benzamide has a molecular weight of 432.49 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 146940141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).