3-(4-hydroxyphenyl)-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]propanamide

C23H25N5O2 — CID 56883448

IUPAC3-(4-hydroxyphenyl)-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]propanamide
SMILESO=C(CCc1ccc(O)cc1)N[C@H]1CC[C@H](Nc2nccc(-c3cccnc3)n2)C1
InChIInChI=1S/C23H25N5O2/c29-20-8-3-16(4-9-20)5-10-22(30)26-18-6-7-19(14-18)27-23-25-13-11-21(28-23)17-2-1-12-24-15-17/h1-4,8-9,11-13,15,18-19,29H,5-7,10,14H2,(H,26,30)(H,25,27,28)/t18-,19-/m0/s1
InChIKeyRWLYPUVANIYFOY-OALUTQOASA-N
MW403.49 g/mol
LogP3.33
Rot. Bonds7

About 3-(4-hydroxyphenyl)-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]propanamide

3-(4-hydroxyphenyl)-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]propanamide (PubChem CID 56883448) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]propanamide.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]propanamide
PubChem CID56883448
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name3-(4-hydroxyphenyl)-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]propanamide
SMILESO=C(CCc1ccc(O)cc1)N[C@H]1CC[C@H](Nc2nccc(-c3cccnc3)n2)C1
InChIInChI=1S/C23H25N5O2/c29-20-8-3-16(4-9-20)5-10-22(30)26-18-6-7-19(14-18)27-23-25-13-11-21(28-23)17-2-1-12-24-15-17/h1-4,8-9,11-13,15,18-19,29H,5-7,10,14H2,(H,26,30)(H,25,27,28)/t18-,19-/m0/s1
InChIKeyRWLYPUVANIYFOY-OALUTQOASA-N
XLogP3.33
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]propanamide?
The IUPAC name of 3-(4-hydroxyphenyl)-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]propanamide (CID 56883448) is 3-(4-hydroxyphenyl)-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]propanamide.
What is the SMILES notation for 3-(4-hydroxyphenyl)-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]propanamide?
The canonical SMILES for 3-(4-hydroxyphenyl)-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]propanamide is O=C(CCc1ccc(O)cc1)N[C@H]1CC[C@H](Nc2nccc(-c3cccnc3)n2)C1.
What is the InChIKey of 3-(4-hydroxyphenyl)-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]propanamide?
The InChIKey is RWLYPUVANIYFOY-OALUTQOASA-N. The full InChI is InChI=1S/C23H25N5O2/c29-20-8-3-16(4-9-20)5-10-22(30)26-18-6-7-19(14-18)27-23-25-13-11-21(28-23)17-2-1-12-24-15-17/h1-4,8-9,11-13,15,18-19,29H,5-7,10,14H2,(H,26,30)(H,25,27,28)/t18-,19-/m0/s1.
What are the key properties of 3-(4-hydroxyphenyl)-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]propanamide?
3-(4-hydroxyphenyl)-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]propanamide has a molecular weight of 403.49 g/mol, XLogP of 3.33, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]propanamide is sourced from PubChem (CID 56883448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).