N-phenyl-3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]benzamide

C24H23N5O — CID 51000607

IUPACN-phenyl-3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]benzamide
SMILESO=C(Nc1ccccc1)c1cccc(C2CCCN(c3ncnc4[nH]ccc34)C2)c1
InChIInChI=1S/C24H23N5O/c30-24(28-20-9-2-1-3-10-20)18-7-4-6-17(14-18)19-8-5-13-29(15-19)23-21-11-12-25-22(21)26-16-27-23/h1-4,6-7,9-12,14,16,19H,5,8,13,15H2,(H,28,30)(H,25,26,27)
InChIKeyASWJPGYQJRGGJK-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.59
Rot. Bonds4

About N-phenyl-3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]benzamide

N-phenyl-3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]benzamide (PubChem CID 51000607) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is N-phenyl-3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-phenyl-3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]benzamide
PubChem CID51000607
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC NameN-phenyl-3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]benzamide
SMILESO=C(Nc1ccccc1)c1cccc(C2CCCN(c3ncnc4[nH]ccc34)C2)c1
InChIInChI=1S/C24H23N5O/c30-24(28-20-9-2-1-3-10-20)18-7-4-6-17(14-18)19-8-5-13-29(15-19)23-21-11-12-25-22(21)26-16-27-23/h1-4,6-7,9-12,14,16,19H,5,8,13,15H2,(H,28,30)(H,25,26,27)
InChIKeyASWJPGYQJRGGJK-UHFFFAOYSA-N
XLogP4.59
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]benzamide?
The IUPAC name of N-phenyl-3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]benzamide (CID 51000607) is N-phenyl-3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]benzamide.
What is the SMILES notation for N-phenyl-3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]benzamide?
The canonical SMILES for N-phenyl-3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]benzamide is O=C(Nc1ccccc1)c1cccc(C2CCCN(c3ncnc4[nH]ccc34)C2)c1.
What is the InChIKey of N-phenyl-3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]benzamide?
The InChIKey is ASWJPGYQJRGGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c30-24(28-20-9-2-1-3-10-20)18-7-4-6-17(14-18)19-8-5-13-29(15-19)23-21-11-12-25-22(21)26-16-27-23/h1-4,6-7,9-12,14,16,19H,5,8,13,15H2,(H,28,30)(H,25,26,27).
What are the key properties of N-phenyl-3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]benzamide?
N-phenyl-3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]benzamide has a molecular weight of 397.48 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]benzamide is sourced from PubChem (CID 51000607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).