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

C21H21N5O2 — CID 56883134

IUPAC4-hydroxy-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]benzamide
SMILESO=C(N[C@H]1CC[C@H](Nc2nccc(-c3cccnc3)n2)C1)c1ccc(O)cc1
InChIInChI=1S/C21H21N5O2/c27-18-7-3-14(4-8-18)20(28)24-16-5-6-17(12-16)25-21-23-11-9-19(26-21)15-2-1-10-22-13-15/h1-4,7-11,13,16-17,27H,5-6,12H2,(H,24,28)(H,23,25,26)/t16-,17-/m0/s1
InChIKeyJEIGTLXPTDQYPS-IRXDYDNUSA-N
MW375.43 g/mol
LogP3.01
Rot. Bonds5

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

4-hydroxy-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]benzamide (PubChem CID 56883134) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-hydroxy-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]benzamide
PubChem CID56883134
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name4-hydroxy-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]benzamide
SMILESO=C(N[C@H]1CC[C@H](Nc2nccc(-c3cccnc3)n2)C1)c1ccc(O)cc1
InChIInChI=1S/C21H21N5O2/c27-18-7-3-14(4-8-18)20(28)24-16-5-6-17(12-16)25-21-23-11-9-19(26-21)15-2-1-10-22-13-15/h1-4,7-11,13,16-17,27H,5-6,12H2,(H,24,28)(H,23,25,26)/t16-,17-/m0/s1
InChIKeyJEIGTLXPTDQYPS-IRXDYDNUSA-N
XLogP3.01
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]benzamide?
The IUPAC name of 4-hydroxy-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]benzamide (CID 56883134) is 4-hydroxy-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]benzamide.
What is the SMILES notation for 4-hydroxy-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]benzamide?
The canonical SMILES for 4-hydroxy-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]benzamide is O=C(N[C@H]1CC[C@H](Nc2nccc(-c3cccnc3)n2)C1)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]benzamide?
The InChIKey is JEIGTLXPTDQYPS-IRXDYDNUSA-N. The full InChI is InChI=1S/C21H21N5O2/c27-18-7-3-14(4-8-18)20(28)24-16-5-6-17(12-16)25-21-23-11-9-19(26-21)15-2-1-10-22-13-15/h1-4,7-11,13,16-17,27H,5-6,12H2,(H,24,28)(H,23,25,26)/t16-,17-/m0/s1.
What are the key properties of 4-hydroxy-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]benzamide?
4-hydroxy-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]benzamide has a molecular weight of 375.43 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]benzamide is sourced from PubChem (CID 56883134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).