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

C18H17N3O3 — CID 75536081

IUPAC3-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]benzamide
SMILESN#Cc1cccc(C(=O)N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2cccnc2)c1
InChIInChI=1S/C18H17N3O3/c19-9-11-3-1-4-12(7-11)18(24)21-16-14(8-15(22)17(16)23)13-5-2-6-20-10-13/h1-7,10,14-17,22-23H,8H2,(H,21,24)/t14-,15-,16-,17-/m1/s1
InChIKeySWOLSGPHXLIAPL-QBPKDAKJSA-N
MW323.35 g/mol
LogP0.96
Rot. Bonds3

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

3-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]benzamide (PubChem CID 75536081) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]benzamide
PubChem CID75536081
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name3-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]benzamide
SMILESN#Cc1cccc(C(=O)N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2cccnc2)c1
InChIInChI=1S/C18H17N3O3/c19-9-11-3-1-4-12(7-11)18(24)21-16-14(8-15(22)17(16)23)13-5-2-6-20-10-13/h1-7,10,14-17,22-23H,8H2,(H,21,24)/t14-,15-,16-,17-/m1/s1
InChIKeySWOLSGPHXLIAPL-QBPKDAKJSA-N
XLogP0.96
TPSA106.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]benzamide?
The IUPAC name of 3-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]benzamide (CID 75536081) is 3-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]benzamide.
What is the SMILES notation for 3-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]benzamide?
The canonical SMILES for 3-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]benzamide is N#Cc1cccc(C(=O)N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2cccnc2)c1.
What is the InChIKey of 3-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]benzamide?
The InChIKey is SWOLSGPHXLIAPL-QBPKDAKJSA-N. The full InChI is InChI=1S/C18H17N3O3/c19-9-11-3-1-4-12(7-11)18(24)21-16-14(8-15(22)17(16)23)13-5-2-6-20-10-13/h1-7,10,14-17,22-23H,8H2,(H,21,24)/t14-,15-,16-,17-/m1/s1.
What are the key properties of 3-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]benzamide?
3-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]benzamide has a molecular weight of 323.35 g/mol, XLogP of 0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]benzamide is sourced from PubChem (CID 75536081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).