3-methoxy-4-(1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzamide

C17H16N4O2 — CID 90354029

IUPAC3-methoxy-4-(1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1cc(C(=O)NCc2cccnc2)ccc1-c1cn[nH]c1
InChIInChI=1S/C17H16N4O2/c1-23-16-7-13(4-5-15(16)14-10-20-21-11-14)17(22)19-9-12-3-2-6-18-8-12/h2-8,10-11H,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyOFDLZAYIPJWEAV-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.41
Rot. Bonds5

About 3-methoxy-4-(1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzamide

3-methoxy-4-(1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 90354029) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-methoxy-4-(1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-methoxy-4-(1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzamide
PubChem CID90354029
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name3-methoxy-4-(1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1cc(C(=O)NCc2cccnc2)ccc1-c1cn[nH]c1
InChIInChI=1S/C17H16N4O2/c1-23-16-7-13(4-5-15(16)14-10-20-21-11-14)17(22)19-9-12-3-2-6-18-8-12/h2-8,10-11H,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyOFDLZAYIPJWEAV-UHFFFAOYSA-N
XLogP2.41
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-methoxy-4-(1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzamide (CID 90354029) is 3-methoxy-4-(1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-methoxy-4-(1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-methoxy-4-(1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzamide is COc1cc(C(=O)NCc2cccnc2)ccc1-c1cn[nH]c1.
What is the InChIKey of 3-methoxy-4-(1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is OFDLZAYIPJWEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-23-16-7-13(4-5-15(16)14-10-20-21-11-14)17(22)19-9-12-3-2-6-18-8-12/h2-8,10-11H,9H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 3-methoxy-4-(1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzamide?
3-methoxy-4-(1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 308.34 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 90354029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).