N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]benzamide

C17H18N2O3 — CID 71693792

IUPACN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]benzamide
SMILESO=C(N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccncc1)c1ccccc1
InChIInChI=1S/C17H18N2O3/c20-14-10-13(11-6-8-18-9-7-11)15(16(14)21)19-17(22)12-4-2-1-3-5-12/h1-9,13-16,20-21H,10H2,(H,19,22)/t13-,14-,15-,16-/m1/s1
InChIKeyLQGJYTXDKVZKNY-KLHDSHLOSA-N
MW298.34 g/mol
LogP1.09
Rot. Bonds3

About N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]benzamide

N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]benzamide (PubChem CID 71693792) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]benzamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]benzamide
PubChem CID71693792
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]benzamide
SMILESO=C(N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccncc1)c1ccccc1
InChIInChI=1S/C17H18N2O3/c20-14-10-13(11-6-8-18-9-7-11)15(16(14)21)19-17(22)12-4-2-1-3-5-12/h1-9,13-16,20-21H,10H2,(H,19,22)/t13-,14-,15-,16-/m1/s1
InChIKeyLQGJYTXDKVZKNY-KLHDSHLOSA-N
XLogP1.09
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]benzamide?
The IUPAC name of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]benzamide (CID 71693792) is N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]benzamide.
What is the SMILES notation for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]benzamide?
The canonical SMILES for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]benzamide is O=C(N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccncc1)c1ccccc1.
What is the InChIKey of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]benzamide?
The InChIKey is LQGJYTXDKVZKNY-KLHDSHLOSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-14-10-13(11-6-8-18-9-7-11)15(16(14)21)19-17(22)12-4-2-1-3-5-12/h1-9,13-16,20-21H,10H2,(H,19,22)/t13-,14-,15-,16-/m1/s1.
What are the key properties of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]benzamide?
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]benzamide has a molecular weight of 298.34 g/mol, XLogP of 1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]benzamide is sourced from PubChem (CID 71693792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).