N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-2-(5-methylthiophen-2-yl)acetamide

C18H22N2O3S — CID 110125755

IUPACN-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-2-(5-methylthiophen-2-yl)acetamide
SMILESCc1ccc(CC(=O)N[C@@H]2CCC[C@@H](Oc3cccnc3)[C@@H]2O)s1
InChIInChI=1S/C18H22N2O3S/c1-12-7-8-14(24-12)10-17(21)20-15-5-2-6-16(18(15)22)23-13-4-3-9-19-11-13/h3-4,7-9,11,15-16,18,22H,2,5-6,10H2,1H3,(H,20,21)/t15-,16-,18-/m1/s1
InChIKeyKNBDDBDPKSRNND-JFIYKMOQSA-N
MW346.45 g/mol
LogP2.47
Rot. Bonds5

About N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-2-(5-methylthiophen-2-yl)acetamide

N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-2-(5-methylthiophen-2-yl)acetamide (PubChem CID 110125755) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-2-(5-methylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-2-(5-methylthiophen-2-yl)acetamide
PubChem CID110125755
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-2-(5-methylthiophen-2-yl)acetamide
SMILESCc1ccc(CC(=O)N[C@@H]2CCC[C@@H](Oc3cccnc3)[C@@H]2O)s1
InChIInChI=1S/C18H22N2O3S/c1-12-7-8-14(24-12)10-17(21)20-15-5-2-6-16(18(15)22)23-13-4-3-9-19-11-13/h3-4,7-9,11,15-16,18,22H,2,5-6,10H2,1H3,(H,20,21)/t15-,16-,18-/m1/s1
InChIKeyKNBDDBDPKSRNND-JFIYKMOQSA-N
XLogP2.47
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-2-(5-methylthiophen-2-yl)acetamide with MolForge

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Related Compounds

N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-2-methyl-2-(1,2,4-triazol-1-yl)propanamide
CID 110158791
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 110125760
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-phenoxycycloheptyl]acetamide
CID 110126070
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 110125354
N-(2-aminocyclopropyl)-2-(5-methylthiophen-2-yl)acetamide;hydrochloride
CID 130693929
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide
CID 110125801
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide
CID 110158799
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-N-methyl-2-thiophen-2-ylacetamide
CID 110125360
4-[[(1R,2R,3R)-2-hydroxy-3-(2-phenoxyphenoxy)cyclohexyl]amino]-4-oxobutanoic acid
CID 110147492
2-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 64813919
1-[(1S,2R)-2-[[2-(5-methylthiophen-2-yl)acetyl]amino]cyclohexyl]triazole-4-carboxylic acid
CID 166258863
N-[(1R,2S,3R,4R)-3-hydroxy-2-piperidin-1-yl-4-pyridin-3-yloxycyclohexyl]-2-methylpyrazole-3-carboxamide
CID 155901349

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-2-(5-methylthiophen-2-yl)acetamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-2-(5-methylthiophen-2-yl)acetamide (CID 110125755) is N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-2-(5-methylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-2-(5-methylthiophen-2-yl)acetamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-2-(5-methylthiophen-2-yl)acetamide is Cc1ccc(CC(=O)N[C@@H]2CCC[C@@H](Oc3cccnc3)[C@@H]2O)s1.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-2-(5-methylthiophen-2-yl)acetamide?
The InChIKey is KNBDDBDPKSRNND-JFIYKMOQSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-12-7-8-14(24-12)10-17(21)20-15-5-2-6-16(18(15)22)23-13-4-3-9-19-11-13/h3-4,7-9,11,15-16,18,22H,2,5-6,10H2,1H3,(H,20,21)/t15-,16-,18-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-2-(5-methylthiophen-2-yl)acetamide?
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-2-(5-methylthiophen-2-yl)acetamide has a molecular weight of 346.45 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-2-(5-methylthiophen-2-yl)acetamide is sourced from PubChem (CID 110125755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).