4-[2-amino-4-[(2R)-1-benzoylpiperidin-2-yl]pyrimidin-5-yl]benzamide

C23H23N5O2 — CID 95836742

IUPAC4-[2-amino-4-[(2R)-1-benzoylpiperidin-2-yl]pyrimidin-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCCCN2C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H23N5O2/c24-21(29)16-11-9-15(10-12-16)18-14-26-23(25)27-20(18)19-8-4-5-13-28(19)22(30)17-6-2-1-3-7-17/h1-3,6-7,9-12,14,19H,4-5,8,13H2,(H2,24,29)(H2,25,26,27)/t19-/m1/s1
InChIKeyFEEANURSFOTQBG-LJQANCHMSA-N
MW401.47 g/mol
LogP3.19
Rot. Bonds4

About 4-[2-amino-4-[(2R)-1-benzoylpiperidin-2-yl]pyrimidin-5-yl]benzamide

4-[2-amino-4-[(2R)-1-benzoylpiperidin-2-yl]pyrimidin-5-yl]benzamide (PubChem CID 95836742) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-[2-amino-4-[(2R)-1-benzoylpiperidin-2-yl]pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name4-[2-amino-4-[(2R)-1-benzoylpiperidin-2-yl]pyrimidin-5-yl]benzamide
PubChem CID95836742
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name4-[2-amino-4-[(2R)-1-benzoylpiperidin-2-yl]pyrimidin-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCCCN2C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H23N5O2/c24-21(29)16-11-9-15(10-12-16)18-14-26-23(25)27-20(18)19-8-4-5-13-28(19)22(30)17-6-2-1-3-7-17/h1-3,6-7,9-12,14,19H,4-5,8,13H2,(H2,24,29)(H2,25,26,27)/t19-/m1/s1
InChIKeyFEEANURSFOTQBG-LJQANCHMSA-N
XLogP3.19
TPSA115.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-amino-4-(1-benzoylpiperidin-2-yl)pyrimidin-5-yl]benzamide
CID 110266760
[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 95836728
[(2R)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95836745
[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 110266755
1-[2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 110266748
[(2S)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-phenylmethanone
CID 95814883
[(2R)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95836747
1-[(2R)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95837037
1-[(2S)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone
CID 95836907
1-[2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110266816
[(2S)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 124952108
[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclobutylmethanone
CID 95836927

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-4-[(2R)-1-benzoylpiperidin-2-yl]pyrimidin-5-yl]benzamide?
The IUPAC name of 4-[2-amino-4-[(2R)-1-benzoylpiperidin-2-yl]pyrimidin-5-yl]benzamide (CID 95836742) is 4-[2-amino-4-[(2R)-1-benzoylpiperidin-2-yl]pyrimidin-5-yl]benzamide.
What is the SMILES notation for 4-[2-amino-4-[(2R)-1-benzoylpiperidin-2-yl]pyrimidin-5-yl]benzamide?
The canonical SMILES for 4-[2-amino-4-[(2R)-1-benzoylpiperidin-2-yl]pyrimidin-5-yl]benzamide is NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCCCN2C(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[2-amino-4-[(2R)-1-benzoylpiperidin-2-yl]pyrimidin-5-yl]benzamide?
The InChIKey is FEEANURSFOTQBG-LJQANCHMSA-N. The full InChI is InChI=1S/C23H23N5O2/c24-21(29)16-11-9-15(10-12-16)18-14-26-23(25)27-20(18)19-8-4-5-13-28(19)22(30)17-6-2-1-3-7-17/h1-3,6-7,9-12,14,19H,4-5,8,13H2,(H2,24,29)(H2,25,26,27)/t19-/m1/s1.
What are the key properties of 4-[2-amino-4-[(2R)-1-benzoylpiperidin-2-yl]pyrimidin-5-yl]benzamide?
4-[2-amino-4-[(2R)-1-benzoylpiperidin-2-yl]pyrimidin-5-yl]benzamide has a molecular weight of 401.47 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-4-[(2R)-1-benzoylpiperidin-2-yl]pyrimidin-5-yl]benzamide is sourced from PubChem (CID 95836742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).