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

C18H17N3O3 — CID 75536066

IUPAC4-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]benzamide
SMILESN#Cc1ccc(C(=O)N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2cccnc2)cc1
InChIInChI=1S/C18H17N3O3/c19-9-11-3-5-12(6-4-11)18(24)21-16-14(8-15(22)17(16)23)13-2-1-7-20-10-13/h1-7,10,14-17,22-23H,8H2,(H,21,24)/t14-,15-,16-,17-/m1/s1
InChIKeySZHLXVAXEREZIJ-QBPKDAKJSA-N
MW323.35 g/mol
LogP0.96
Rot. Bonds3

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

4-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]benzamide (PubChem CID 75536066) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 4-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]benzamide
PubChem CID75536066
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name4-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]benzamide
SMILESN#Cc1ccc(C(=O)N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2cccnc2)cc1
InChIInChI=1S/C18H17N3O3/c19-9-11-3-5-12(6-4-11)18(24)21-16-14(8-15(22)17(16)23)13-2-1-7-20-10-13/h1-7,10,14-17,22-23H,8H2,(H,21,24)/t14-,15-,16-,17-/m1/s1
InChIKeySZHLXVAXEREZIJ-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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Related Compounds

3-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]benzamide
CID 71693954
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]pyrimidine-5-carboxamide
CID 71693775
3-cyano-N-[2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]benzamide
CID 78151055
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]-4-(trifluoromethoxy)benzamide
CID 71693967
N-[2,3-dihydroxy-5-(4-methylphenyl)cyclopentyl]benzamide
CID 78150918
3-(oxan-4-ylamino)-4-pyridin-3-ylcyclopentane-1,2-diol
CID 78150877
N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-4-[[(4-cyanophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]methyl]benzamide
CID 58128997
trans-(1R,2R)-2-(4-cyanophenyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 166322112
4-cyano-N-(3,5-dimethylcyclohexyl)benzamide
CID 64724364
4-cyano-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]benzamide
CID 128997530
4-cyano-N-(4-pyridin-3-yloxybut-2-ynyl)benzamide
CID 90579015
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-4-methoxybenzamide
CID 71693937

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]benzamide?
The IUPAC name of 4-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]benzamide (CID 75536066) is 4-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]benzamide.
What is the SMILES notation for 4-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]benzamide?
The canonical SMILES for 4-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]benzamide is N#Cc1ccc(C(=O)N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2cccnc2)cc1.
What is the InChIKey of 4-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]benzamide?
The InChIKey is SZHLXVAXEREZIJ-QBPKDAKJSA-N. The full InChI is InChI=1S/C18H17N3O3/c19-9-11-3-5-12(6-4-11)18(24)21-16-14(8-15(22)17(16)23)13-2-1-7-20-10-13/h1-7,10,14-17,22-23H,8H2,(H,21,24)/t14-,15-,16-,17-/m1/s1.
What are the key properties of 4-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]benzamide?
4-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 4-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]benzamide is sourced from PubChem (CID 75536066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).