N-(6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)benzamide

C24H23N5O — CID 11795098

IUPACN-(6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)benzamide
SMILESO=C(Nc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1)c1ccccc1
InChIInChI=1S/C24H23N5O/c30-23(18-12-6-2-7-13-18)28-24-26-20-16-19(17-10-4-1-5-11-17)25-21(20)22(27-24)29-14-8-3-9-15-29/h1-2,4-7,10-13,16,25H,3,8-9,14-15H2,(H,26,27,28,30)
InChIKeyFUBYMNOHRDBHBO-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.87
Rot. Bonds4

About N-(6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)benzamide

N-(6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)benzamide (PubChem CID 11795098) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)benzamide
PubChem CID11795098
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC NameN-(6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)benzamide
SMILESO=C(Nc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1)c1ccccc1
InChIInChI=1S/C24H23N5O/c30-23(18-12-6-2-7-13-18)28-24-26-20-16-19(17-10-4-1-5-11-17)25-21(20)22(27-24)29-14-8-3-9-15-29/h1-2,4-7,10-13,16,25H,3,8-9,14-15H2,(H,26,27,28,30)
InChIKeyFUBYMNOHRDBHBO-UHFFFAOYSA-N
XLogP4.87
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 ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)benzamide?
The IUPAC name of N-(6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)benzamide (CID 11795098) is N-(6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)benzamide.
What is the SMILES notation for N-(6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)benzamide?
The canonical SMILES for N-(6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)benzamide is O=C(Nc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1)c1ccccc1.
What is the InChIKey of N-(6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)benzamide?
The InChIKey is FUBYMNOHRDBHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c30-23(18-12-6-2-7-13-18)28-24-26-20-16-19(17-10-4-1-5-11-17)25-21(20)22(27-24)29-14-8-3-9-15-29/h1-2,4-7,10-13,16,25H,3,8-9,14-15H2,(H,26,27,28,30).
What are the key properties of N-(6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)benzamide?
N-(6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)benzamide has a molecular weight of 397.48 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)benzamide is sourced from PubChem (CID 11795098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).