N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-2-methylpropanamide

C18H27N3O4 — CID 75536086

IUPACN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C18H27N3O4/c1-11(2)18(24)20-16-13(9-14(22)17(16)23)12-3-4-15(19-10-12)21-5-7-25-8-6-21/h3-4,10-11,13-14,16-17,22-23H,5-9H2,1-2H3,(H,20,24)/t13-,14-,16-,17-/m1/s1
InChIKeyFBJIRQFMUMIUGW-MUIFIZLQSA-N
MW349.43 g/mol
LogP0.27
Rot. Bonds4

About N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-2-methylpropanamide

N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-2-methylpropanamide (PubChem CID 75536086) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-2-methylpropanamide
PubChem CID75536086
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC NameN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C18H27N3O4/c1-11(2)18(24)20-16-13(9-14(22)17(16)23)12-3-4-15(19-10-12)21-5-7-25-8-6-21/h3-4,10-11,13-14,16-17,22-23H,5-9H2,1-2H3,(H,20,24)/t13-,14-,16-,17-/m1/s1
InChIKeyFBJIRQFMUMIUGW-MUIFIZLQSA-N
XLogP0.27
TPSA94.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-2-methylpropanamide?
The IUPAC name of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-2-methylpropanamide (CID 75536086) is N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-2-methylpropanamide.
What is the SMILES notation for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-2-methylpropanamide?
The canonical SMILES for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-2-methylpropanamide is CC(C)C(=O)N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccc(N2CCOCC2)nc1.
What is the InChIKey of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-2-methylpropanamide?
The InChIKey is FBJIRQFMUMIUGW-MUIFIZLQSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-11(2)18(24)20-16-13(9-14(22)17(16)23)12-3-4-15(19-10-12)21-5-7-25-8-6-21/h3-4,10-11,13-14,16-17,22-23H,5-9H2,1-2H3,(H,20,24)/t13-,14-,16-,17-/m1/s1.
What are the key properties of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-2-methylpropanamide?
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-2-methylpropanamide has a molecular weight of 349.43 g/mol, XLogP of 0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-2-methylpropanamide is sourced from PubChem (CID 75536086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).