4-methyl-3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide

C19H16N6O — CID 11175333

IUPAC4-methyl-3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide
SMILESCc1ccc(C(N)=O)cc1Nc1ncc2ccn(-c3ccccn3)c2n1
InChIInChI=1S/C19H16N6O/c1-12-5-6-13(17(20)26)10-15(12)23-19-22-11-14-7-9-25(18(14)24-19)16-4-2-3-8-21-16/h2-11H,1H3,(H2,20,26)(H,22,23,24)
InChIKeyANWGBORKTYLQQD-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.97
Rot. Bonds4

About 4-methyl-3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide

4-methyl-3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide (PubChem CID 11175333) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is 4-methyl-3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide.

Molecular Properties

Compound Name4-methyl-3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide
PubChem CID11175333
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC Name4-methyl-3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide
SMILESCc1ccc(C(N)=O)cc1Nc1ncc2ccn(-c3ccccn3)c2n1
InChIInChI=1S/C19H16N6O/c1-12-5-6-13(17(20)26)10-15(12)23-19-22-11-14-7-9-25(18(14)24-19)16-4-2-3-8-21-16/h2-11H,1H3,(H2,20,26)(H,22,23,24)
InChIKeyANWGBORKTYLQQD-UHFFFAOYSA-N
XLogP2.97
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide?
The IUPAC name of 4-methyl-3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide (CID 11175333) is 4-methyl-3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide.
What is the SMILES notation for 4-methyl-3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide?
The canonical SMILES for 4-methyl-3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide is Cc1ccc(C(N)=O)cc1Nc1ncc2ccn(-c3ccccn3)c2n1.
What is the InChIKey of 4-methyl-3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide?
The InChIKey is ANWGBORKTYLQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c1-12-5-6-13(17(20)26)10-15(12)23-19-22-11-14-7-9-25(18(14)24-19)16-4-2-3-8-21-16/h2-11H,1H3,(H2,20,26)(H,22,23,24).
What are the key properties of 4-methyl-3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide?
4-methyl-3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide has a molecular weight of 344.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide is sourced from PubChem (CID 11175333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).