3-cyano-N-[2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]benzamide

C22H24N4O4 — CID 78151055

IUPAC3-cyano-N-[2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]benzamide
SMILESN#Cc1cccc(C(=O)NC2C(c3ccc(N4CCOCC4)nc3)CC(O)C2O)c1
InChIInChI=1S/C22H24N4O4/c23-12-14-2-1-3-15(10-14)22(29)25-20-17(11-18(27)21(20)28)16-4-5-19(24-13-16)26-6-8-30-9-7-26/h1-5,10,13,17-18,20-21,27-28H,6-9,11H2,(H,25,29)
InChIKeyZKGPKAQYOVDSFO-UHFFFAOYSA-N
MW408.46 g/mol
LogP0.80
Rot. Bonds4

About 3-cyano-N-[2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]benzamide

3-cyano-N-[2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]benzamide (PubChem CID 78151055) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 3-cyano-N-[2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]benzamide
PubChem CID78151055
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name3-cyano-N-[2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]benzamide
SMILESN#Cc1cccc(C(=O)NC2C(c3ccc(N4CCOCC4)nc3)CC(O)C2O)c1
InChIInChI=1S/C22H24N4O4/c23-12-14-2-1-3-15(10-14)22(29)25-20-17(11-18(27)21(20)28)16-4-5-19(24-13-16)26-6-8-30-9-7-26/h1-5,10,13,17-18,20-21,27-28H,6-9,11H2,(H,25,29)
InChIKeyZKGPKAQYOVDSFO-UHFFFAOYSA-N
XLogP0.80
TPSA118.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]benzamide?
The IUPAC name of 3-cyano-N-[2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]benzamide (CID 78151055) is 3-cyano-N-[2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]benzamide.
What is the SMILES notation for 3-cyano-N-[2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]benzamide?
The canonical SMILES for 3-cyano-N-[2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]benzamide is N#Cc1cccc(C(=O)NC2C(c3ccc(N4CCOCC4)nc3)CC(O)C2O)c1.
What is the InChIKey of 3-cyano-N-[2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]benzamide?
The InChIKey is ZKGPKAQYOVDSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c23-12-14-2-1-3-15(10-14)22(29)25-20-17(11-18(27)21(20)28)16-4-5-19(24-13-16)26-6-8-30-9-7-26/h1-5,10,13,17-18,20-21,27-28H,6-9,11H2,(H,25,29).
What are the key properties of 3-cyano-N-[2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]benzamide?
3-cyano-N-[2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]benzamide has a molecular weight of 408.46 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]benzamide is sourced from PubChem (CID 78151055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).