N,4-dimethyl-3-[(1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide

C19H17N7O — CID 23400211

IUPACN,4-dimethyl-3-[(1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
SMILESCNC(=O)c1ccc(C)c(Nc2ncnc3c2cnn3-c2ccccn2)c1
InChIInChI=1S/C19H17N7O/c1-12-6-7-13(19(27)20-2)9-15(12)25-17-14-10-24-26(18(14)23-11-22-17)16-5-3-4-8-21-16/h3-11H,1-2H3,(H,20,27)(H,22,23,25)
InChIKeySCAVBVPGSXYUND-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.62
Rot. Bonds4

About N,4-dimethyl-3-[(1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide

N,4-dimethyl-3-[(1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide (PubChem CID 23400211) has the molecular formula C19H17N7O and a molecular weight of 359.39 g/mol. Its IUPAC name is N,4-dimethyl-3-[(1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide.

Molecular Properties

Compound NameN,4-dimethyl-3-[(1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
PubChem CID23400211
Molecular FormulaC19H17N7O
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC NameN,4-dimethyl-3-[(1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
SMILESCNC(=O)c1ccc(C)c(Nc2ncnc3c2cnn3-c2ccccn2)c1
InChIInChI=1S/C19H17N7O/c1-12-6-7-13(19(27)20-2)9-15(12)25-17-14-10-24-26(18(14)23-11-22-17)16-5-3-4-8-21-16/h3-11H,1-2H3,(H,20,27)(H,22,23,25)
InChIKeySCAVBVPGSXYUND-UHFFFAOYSA-N
XLogP2.62
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-[(1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide?
The IUPAC name of N,4-dimethyl-3-[(1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide (CID 23400211) is N,4-dimethyl-3-[(1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide.
What is the SMILES notation for N,4-dimethyl-3-[(1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide?
The canonical SMILES for N,4-dimethyl-3-[(1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide is CNC(=O)c1ccc(C)c(Nc2ncnc3c2cnn3-c2ccccn2)c1.
What is the InChIKey of N,4-dimethyl-3-[(1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide?
The InChIKey is SCAVBVPGSXYUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O/c1-12-6-7-13(19(27)20-2)9-15(12)25-17-14-10-24-26(18(14)23-11-22-17)16-5-3-4-8-21-16/h3-11H,1-2H3,(H,20,27)(H,22,23,25).
What are the key properties of N,4-dimethyl-3-[(1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide?
N,4-dimethyl-3-[(1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide has a molecular weight of 359.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-[(1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide is sourced from PubChem (CID 23400211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).