4-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]benzamide

C17H15N5O — CID 22142690

IUPAC4-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]benzamide
SMILESNC(=O)c1ccc(-c2ccnc(NCc3ccncc3)n2)cc1
InChIInChI=1S/C17H15N5O/c18-16(23)14-3-1-13(2-4-14)15-7-10-20-17(22-15)21-11-12-5-8-19-9-6-12/h1-10H,11H2,(H2,18,23)(H,20,21,22)
InChIKeyWPQOBOOPODRDNX-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.25
Rot. Bonds5

About 4-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]benzamide

4-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]benzamide (PubChem CID 22142690) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 4-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name4-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]benzamide
PubChem CID22142690
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name4-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]benzamide
SMILESNC(=O)c1ccc(-c2ccnc(NCc3ccncc3)n2)cc1
InChIInChI=1S/C17H15N5O/c18-16(23)14-3-1-13(2-4-14)15-7-10-20-17(22-15)21-11-12-5-8-19-9-6-12/h1-10H,11H2,(H2,18,23)(H,20,21,22)
InChIKeyWPQOBOOPODRDNX-UHFFFAOYSA-N
XLogP2.25
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]benzamide?
The IUPAC name of 4-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]benzamide (CID 22142690) is 4-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]benzamide.
What is the SMILES notation for 4-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]benzamide?
The canonical SMILES for 4-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]benzamide is NC(=O)c1ccc(-c2ccnc(NCc3ccncc3)n2)cc1.
What is the InChIKey of 4-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]benzamide?
The InChIKey is WPQOBOOPODRDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c18-16(23)14-3-1-13(2-4-14)15-7-10-20-17(22-15)21-11-12-5-8-19-9-6-12/h1-10H,11H2,(H2,18,23)(H,20,21,22).
What are the key properties of 4-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]benzamide?
4-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]benzamide has a molecular weight of 305.34 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]benzamide is sourced from PubChem (CID 22142690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).