2-[2-(methoxymethyl)-4-pyridinyl]-N-(1-methylpyrazol-4-yl)benzamide

C18H18N4O2 — CID 172675054

IUPAC2-[2-(methoxymethyl)-4-pyridinyl]-N-(1-methylpyrazol-4-yl)benzamide
SMILESCOCc1cc(-c2ccccc2C(=O)Nc2cnn(C)c2)ccn1
InChIInChI=1S/C18H18N4O2/c1-22-11-15(10-20-22)21-18(23)17-6-4-3-5-16(17)13-7-8-19-14(9-13)12-24-2/h3-11H,12H2,1-2H3,(H,21,23)
InChIKeyQLEJHKGASBJBRV-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.88
Rot. Bonds5

About 2-[2-(methoxymethyl)-4-pyridinyl]-N-(1-methylpyrazol-4-yl)benzamide

2-[2-(methoxymethyl)-4-pyridinyl]-N-(1-methylpyrazol-4-yl)benzamide (PubChem CID 172675054) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-[2-(methoxymethyl)-4-pyridinyl]-N-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name2-[2-(methoxymethyl)-4-pyridinyl]-N-(1-methylpyrazol-4-yl)benzamide
PubChem CID172675054
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-[2-(methoxymethyl)-4-pyridinyl]-N-(1-methylpyrazol-4-yl)benzamide
SMILESCOCc1cc(-c2ccccc2C(=O)Nc2cnn(C)c2)ccn1
InChIInChI=1S/C18H18N4O2/c1-22-11-15(10-20-22)21-18(23)17-6-4-3-5-16(17)13-7-8-19-14(9-13)12-24-2/h3-11H,12H2,1-2H3,(H,21,23)
InChIKeyQLEJHKGASBJBRV-UHFFFAOYSA-N
XLogP2.88
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethyl)-4-pyridinyl]-N-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of 2-[2-(methoxymethyl)-4-pyridinyl]-N-(1-methylpyrazol-4-yl)benzamide (CID 172675054) is 2-[2-(methoxymethyl)-4-pyridinyl]-N-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for 2-[2-(methoxymethyl)-4-pyridinyl]-N-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for 2-[2-(methoxymethyl)-4-pyridinyl]-N-(1-methylpyrazol-4-yl)benzamide is COCc1cc(-c2ccccc2C(=O)Nc2cnn(C)c2)ccn1.
What is the InChIKey of 2-[2-(methoxymethyl)-4-pyridinyl]-N-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is QLEJHKGASBJBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-22-11-15(10-20-22)21-18(23)17-6-4-3-5-16(17)13-7-8-19-14(9-13)12-24-2/h3-11H,12H2,1-2H3,(H,21,23).
What are the key properties of 2-[2-(methoxymethyl)-4-pyridinyl]-N-(1-methylpyrazol-4-yl)benzamide?
2-[2-(methoxymethyl)-4-pyridinyl]-N-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 322.37 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethyl)-4-pyridinyl]-N-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 172675054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).