N-(5H-chromeno[4,3-d]pyrimidin-2-yl)-4-methylbenzamide

C19H15N3O2 — CID 3270154

IUPACN-(5H-chromeno[4,3-d]pyrimidin-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ncc3c(n2)-c2ccccc2OC3)cc1
InChIInChI=1S/C19H15N3O2/c1-12-6-8-13(9-7-12)18(23)22-19-20-10-14-11-24-16-5-3-2-4-15(16)17(14)21-19/h2-10H,11H2,1H3,(H,20,21,22,23)
InChIKeyXEHUIPWFZREHDF-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.60
Rot. Bonds2

About N-(5H-chromeno[4,3-d]pyrimidin-2-yl)-4-methylbenzamide

N-(5H-chromeno[4,3-d]pyrimidin-2-yl)-4-methylbenzamide (PubChem CID 3270154) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(5H-chromeno[4,3-d]pyrimidin-2-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(5H-chromeno[4,3-d]pyrimidin-2-yl)-4-methylbenzamide
PubChem CID3270154
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC NameN-(5H-chromeno[4,3-d]pyrimidin-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ncc3c(n2)-c2ccccc2OC3)cc1
InChIInChI=1S/C19H15N3O2/c1-12-6-8-13(9-7-12)18(23)22-19-20-10-14-11-24-16-5-3-2-4-15(16)17(14)21-19/h2-10H,11H2,1H3,(H,20,21,22,23)
InChIKeyXEHUIPWFZREHDF-UHFFFAOYSA-N
XLogP3.60
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5H-chromeno[4,3-d]pyrimidin-2-yl)-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5H-chromeno[4,3-d]pyrimidin-2-yl)-4-methylbenzamide?
The IUPAC name of N-(5H-chromeno[4,3-d]pyrimidin-2-yl)-4-methylbenzamide (CID 3270154) is N-(5H-chromeno[4,3-d]pyrimidin-2-yl)-4-methylbenzamide.
What is the SMILES notation for N-(5H-chromeno[4,3-d]pyrimidin-2-yl)-4-methylbenzamide?
The canonical SMILES for N-(5H-chromeno[4,3-d]pyrimidin-2-yl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2ncc3c(n2)-c2ccccc2OC3)cc1.
What is the InChIKey of N-(5H-chromeno[4,3-d]pyrimidin-2-yl)-4-methylbenzamide?
The InChIKey is XEHUIPWFZREHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-12-6-8-13(9-7-12)18(23)22-19-20-10-14-11-24-16-5-3-2-4-15(16)17(14)21-19/h2-10H,11H2,1H3,(H,20,21,22,23).
What are the key properties of N-(5H-chromeno[4,3-d]pyrimidin-2-yl)-4-methylbenzamide?
N-(5H-chromeno[4,3-d]pyrimidin-2-yl)-4-methylbenzamide has a molecular weight of 317.35 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5H-chromeno[4,3-d]pyrimidin-2-yl)-4-methylbenzamide is sourced from PubChem (CID 3270154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).