N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-N'-pyridin-3-yloxamide

C19H23N3O3S — CID 100721991

IUPACN-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-N'-pyridin-3-yloxamide
SMILESC[C@@H](O)c1ccc(C2(CNC(=O)C(=O)Nc3cccnc3)CCCC2)s1
InChIInChI=1S/C19H23N3O3S/c1-13(23)15-6-7-16(26-15)19(8-2-3-9-19)12-21-17(24)18(25)22-14-5-4-10-20-11-14/h4-7,10-11,13,23H,2-3,8-9,12H2,1H3,(H,21,24)(H,22,25)/t13-/m1/s1
InChIKeyMJVCVSRJBJFCRT-CYBMUJFWSA-N
MW373.48 g/mol
LogP2.76
Rot. Bonds5

About N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-N'-pyridin-3-yloxamide

N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-N'-pyridin-3-yloxamide (PubChem CID 100721991) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-N'-pyridin-3-yloxamide.

Molecular Properties

Compound NameN-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-N'-pyridin-3-yloxamide
PubChem CID100721991
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-N'-pyridin-3-yloxamide
SMILESC[C@@H](O)c1ccc(C2(CNC(=O)C(=O)Nc3cccnc3)CCCC2)s1
InChIInChI=1S/C19H23N3O3S/c1-13(23)15-6-7-16(26-15)19(8-2-3-9-19)12-21-17(24)18(25)22-14-5-4-10-20-11-14/h4-7,10-11,13,23H,2-3,8-9,12H2,1H3,(H,21,24)(H,22,25)/t13-/m1/s1
InChIKeyMJVCVSRJBJFCRT-CYBMUJFWSA-N
XLogP2.76
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]acetamide
CID 121178927
N-[[1-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]benzamide
CID 100720415
1-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-(4-methylphenyl)urea
CID 121179304
N'-(5-chloro-2-cyanophenyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]oxamide
CID 121179274
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]naphthalene-1-carboxamide
CID 121178997
[1-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methylamino]-2-methyl-1-oxopropan-2-yl] acetate
CID 100721399
2-(2,5-dioxopyrrolidin-1-yl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]acetamide
CID 91817474
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-4-phenyloxane-4-carboxamide
CID 121179056
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 91817464
1-(4-butoxyphenyl)-3-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]urea
CID 121179330
1-(1,3-benzodioxol-5-yl)-3-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]urea
CID 100722362
4-(dimethylamino)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide
CID 121178983

Frequently Asked Questions

What is the IUPAC name of N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-N'-pyridin-3-yloxamide?
The IUPAC name of N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-N'-pyridin-3-yloxamide (CID 100721991) is N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-N'-pyridin-3-yloxamide.
What is the SMILES notation for N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-N'-pyridin-3-yloxamide?
The canonical SMILES for N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-N'-pyridin-3-yloxamide is C[C@@H](O)c1ccc(C2(CNC(=O)C(=O)Nc3cccnc3)CCCC2)s1.
What is the InChIKey of N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-N'-pyridin-3-yloxamide?
The InChIKey is MJVCVSRJBJFCRT-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-13(23)15-6-7-16(26-15)19(8-2-3-9-19)12-21-17(24)18(25)22-14-5-4-10-20-11-14/h4-7,10-11,13,23H,2-3,8-9,12H2,1H3,(H,21,24)(H,22,25)/t13-/m1/s1.
What are the key properties of N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-N'-pyridin-3-yloxamide?
N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-N'-pyridin-3-yloxamide has a molecular weight of 373.48 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-N'-pyridin-3-yloxamide is sourced from PubChem (CID 100721991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).