2-methoxy-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzamide

C14H12N4O2 — CID 167773837

IUPAC2-methoxy-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzamide
SMILESCOc1cc(-c2ncnc3[nH]ccc23)ccc1C(N)=O
InChIInChI=1S/C14H12N4O2/c1-20-11-6-8(2-3-9(11)13(15)19)12-10-4-5-16-14(10)18-7-17-12/h2-7H,1H3,(H2,15,19)(H,16,17,18)
InChIKeyYLOMPCORXGQRCS-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.73
Rot. Bonds3

About 2-methoxy-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzamide

2-methoxy-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzamide (PubChem CID 167773837) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-methoxy-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzamide
PubChem CID167773837
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name2-methoxy-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzamide
SMILESCOc1cc(-c2ncnc3[nH]ccc23)ccc1C(N)=O
InChIInChI=1S/C14H12N4O2/c1-20-11-6-8(2-3-9(11)13(15)19)12-10-4-5-16-14(10)18-7-17-12/h2-7H,1H3,(H2,15,19)(H,16,17,18)
InChIKeyYLOMPCORXGQRCS-UHFFFAOYSA-N
XLogP1.73
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzamide 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 2-methoxy-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzamide?
The IUPAC name of 2-methoxy-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzamide (CID 167773837) is 2-methoxy-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzamide.
What is the SMILES notation for 2-methoxy-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzamide?
The canonical SMILES for 2-methoxy-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzamide is COc1cc(-c2ncnc3[nH]ccc23)ccc1C(N)=O.
What is the InChIKey of 2-methoxy-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzamide?
The InChIKey is YLOMPCORXGQRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-20-11-6-8(2-3-9(11)13(15)19)12-10-4-5-16-14(10)18-7-17-12/h2-7H,1H3,(H2,15,19)(H,16,17,18).
What are the key properties of 2-methoxy-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzamide?
2-methoxy-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzamide has a molecular weight of 268.28 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzamide is sourced from PubChem (CID 167773837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).