4-methoxy-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide

C17H14N4O2 — CID 1477565

IUPAC4-methoxy-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccnc(-c3cccnc3)n2)cc1
InChIInChI=1S/C17H14N4O2/c1-23-14-6-4-12(5-7-14)17(22)21-15-8-10-19-16(20-15)13-3-2-9-18-11-13/h2-11H,1H3,(H,19,20,21,22)
InChIKeyBYUKEYSXWOTNJM-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.80
Rot. Bonds4

About 4-methoxy-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide

4-methoxy-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide (PubChem CID 1477565) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 4-methoxy-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide
PubChem CID1477565
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name4-methoxy-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccnc(-c3cccnc3)n2)cc1
InChIInChI=1S/C17H14N4O2/c1-23-14-6-4-12(5-7-14)17(22)21-15-8-10-19-16(20-15)13-3-2-9-18-11-13/h2-11H,1H3,(H,19,20,21,22)
InChIKeyBYUKEYSXWOTNJM-UHFFFAOYSA-N
XLogP2.80
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide?
The IUPAC name of 4-methoxy-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide (CID 1477565) is 4-methoxy-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide is COc1ccc(C(=O)Nc2ccnc(-c3cccnc3)n2)cc1.
What is the InChIKey of 4-methoxy-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide?
The InChIKey is BYUKEYSXWOTNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-23-14-6-4-12(5-7-14)17(22)21-15-8-10-19-16(20-15)13-3-2-9-18-11-13/h2-11H,1H3,(H,19,20,21,22).
What are the key properties of 4-methoxy-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide?
4-methoxy-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide has a molecular weight of 306.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide is sourced from PubChem (CID 1477565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).