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

C14H20N2O3 — CID 75536067

IUPACN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1cccnc1
InChIInChI=1S/C14H20N2O3/c1-8(2)14(19)16-12-10(6-11(17)13(12)18)9-4-3-5-15-7-9/h3-5,7-8,10-13,17-18H,6H2,1-2H3,(H,16,19)/t10-,11-,12-,13-/m1/s1
InChIKeyCSKOADHTVZTULL-FDYHWXHSSA-N
MW264.32 g/mol
LogP0.43
Rot. Bonds3

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

N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2-methylpropanamide (PubChem CID 75536067) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2-methylpropanamide
PubChem CID75536067
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1cccnc1
InChIInChI=1S/C14H20N2O3/c1-8(2)14(19)16-12-10(6-11(17)13(12)18)9-4-3-5-15-7-9/h3-5,7-8,10-13,17-18H,6H2,1-2H3,(H,16,19)/t10-,11-,12-,13-/m1/s1
InChIKeyCSKOADHTVZTULL-FDYHWXHSSA-N
XLogP0.43
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]benzamide
CID 71693792
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]pyridine-2-carboxamide
CID 71693795
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]acetamide
CID 71693978
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-2-methylpropanamide
CID 71693984
3-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]benzamide
CID 75536081
(1R,2S,3R,4R)-4-pyridin-3-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol
CID 75536114
3-[[[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]amino]methyl]benzonitrile
CID 75536119
cyclopent-3-en-1-yl-[(2R,3R)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 97470538
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2-methylbenzamide
CID 75536073
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-2-methylpropanamide
CID 75536086
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-phenylcyclopentyl]pyridine-2-carboxamide
CID 71693753
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]pyridine-3-carboxamide
CID 71693760

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2-methylpropanamide?
The IUPAC name of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2-methylpropanamide (CID 75536067) is N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2-methylpropanamide.
What is the SMILES notation for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2-methylpropanamide?
The canonical SMILES for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2-methylpropanamide is CC(C)C(=O)N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1cccnc1.
What is the InChIKey of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2-methylpropanamide?
The InChIKey is CSKOADHTVZTULL-FDYHWXHSSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-8(2)14(19)16-12-10(6-11(17)13(12)18)9-4-3-5-15-7-9/h3-5,7-8,10-13,17-18H,6H2,1-2H3,(H,16,19)/t10-,11-,12-,13-/m1/s1.
What are the key properties of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2-methylpropanamide?
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-3-ylcyclopentyl]-2-methylpropanamide has a molecular weight of 264.32 g/mol, XLogP of 0.43, 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-3-ylcyclopentyl]-2-methylpropanamide is sourced from PubChem (CID 75536067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).