5-[1-[3-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoyl]piperidin-4-yl]-3-pyridin-3-ylpentanoic acid

C26H33N5O4 — CID 10050795

IUPAC5-[1-[3-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoyl]piperidin-4-yl]-3-pyridin-3-ylpentanoic acid
SMILESO=C(O)CC(CCC1CCN(C(=O)c2cccc(NC3=NCC(O)CN3)c2)CC1)c1cccnc1
InChIInChI=1S/C26H33N5O4/c32-23-16-28-26(29-17-23)30-22-5-1-3-20(13-22)25(35)31-11-8-18(9-12-31)6-7-19(14-24(33)34)21-4-2-10-27-15-21/h1-5,10,13,15,18-19,23,32H,6-9,11-12,14,16-17H2,(H,33,34)(H2,28,29,30)
InChIKeyRIMNAJWSHMIYIW-UHFFFAOYSA-N
MW479.58 g/mol
LogP2.70
Rot. Bonds8

About 5-[1-[3-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoyl]piperidin-4-yl]-3-pyridin-3-ylpentanoic acid

5-[1-[3-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoyl]piperidin-4-yl]-3-pyridin-3-ylpentanoic acid (PubChem CID 10050795) has the molecular formula C26H33N5O4 and a molecular weight of 479.58 g/mol. Its IUPAC name is 5-[1-[3-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoyl]piperidin-4-yl]-3-pyridin-3-ylpentanoic acid.

Molecular Properties

Compound Name5-[1-[3-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoyl]piperidin-4-yl]-3-pyridin-3-ylpentanoic acid
PubChem CID10050795
Molecular FormulaC26H33N5O4
Molecular Weight479.58 g/mol
Exact Mass479.25
IUPAC Name5-[1-[3-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoyl]piperidin-4-yl]-3-pyridin-3-ylpentanoic acid
SMILESO=C(O)CC(CCC1CCN(C(=O)c2cccc(NC3=NCC(O)CN3)c2)CC1)c1cccnc1
InChIInChI=1S/C26H33N5O4/c32-23-16-28-26(29-17-23)30-22-5-1-3-20(13-22)25(35)31-11-8-18(9-12-31)6-7-19(14-24(33)34)21-4-2-10-27-15-21/h1-5,10,13,15,18-19,23,32H,6-9,11-12,14,16-17H2,(H,33,34)(H2,28,29,30)
InChIKeyRIMNAJWSHMIYIW-UHFFFAOYSA-N
XLogP2.70
TPSA127.15 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 52.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoyl]piperidin-4-yl]-3-pyridin-3-ylpentanoic acid?
The IUPAC name of 5-[1-[3-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoyl]piperidin-4-yl]-3-pyridin-3-ylpentanoic acid (CID 10050795) is 5-[1-[3-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoyl]piperidin-4-yl]-3-pyridin-3-ylpentanoic acid.
What is the SMILES notation for 5-[1-[3-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoyl]piperidin-4-yl]-3-pyridin-3-ylpentanoic acid?
The canonical SMILES for 5-[1-[3-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoyl]piperidin-4-yl]-3-pyridin-3-ylpentanoic acid is O=C(O)CC(CCC1CCN(C(=O)c2cccc(NC3=NCC(O)CN3)c2)CC1)c1cccnc1.
What is the InChIKey of 5-[1-[3-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoyl]piperidin-4-yl]-3-pyridin-3-ylpentanoic acid?
The InChIKey is RIMNAJWSHMIYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O4/c32-23-16-28-26(29-17-23)30-22-5-1-3-20(13-22)25(35)31-11-8-18(9-12-31)6-7-19(14-24(33)34)21-4-2-10-27-15-21/h1-5,10,13,15,18-19,23,32H,6-9,11-12,14,16-17H2,(H,33,34)(H2,28,29,30).
What are the key properties of 5-[1-[3-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoyl]piperidin-4-yl]-3-pyridin-3-ylpentanoic acid?
5-[1-[3-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoyl]piperidin-4-yl]-3-pyridin-3-ylpentanoic acid has a molecular weight of 479.58 g/mol, XLogP of 2.70, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoyl]piperidin-4-yl]-3-pyridin-3-ylpentanoic acid is sourced from PubChem (CID 10050795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).